Sugi Predict

Sugi Predict / Compounds / SCHEMBL3313375

SCHEMBL3313375

SCHEMBL3313375

CCCCCCN(CCCCC)C[C@@H](O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 3/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ GGPS1 O95749 3/20 0.36
▸ FAAH O00519 7/20 0.34
▸ CES1 P23141 5/20 0.34
▸ CES2 O00748 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5207642 1.00 DNM1 (0.37) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL5204920 1.00 DNM1 (0.37) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL3320341 0.98 KDM4E (0.34) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL5202044 0.98 KDM4E (0.34) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL7105830 0.85 TSHR (0.32) PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL3320507 0.85 DNM1 (0.34) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL3315600 0.85 PLA2G1B (0.38) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL5203577 0.85 PLA2G1B (0.38) DNM1PLA2G1BPLA2G2AGGPS1FAAH
SCHEMBL11698298 0.78 KDM4E (0.42) DNM1PLA2G1BPLA2G2AGGPS1MEN1
SCHEMBL7754967 0.78 KDM4E (0.42) DNM1PLA2G1BPLA2G2AGGPS1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700658-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2010-04-20 — — US disclosed
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY PFIZER INC 2009-06-18 — — US disclosed
US-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity PFIZER INC 2007-09-20 — — US disclosed
US-7253211-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2007-08-07 — — US disclosed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 — — US disclosed
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2006-10-12 — — US disclosed
EP-1589000-A2 (R)-Chiral halogenated 1-substitutedamino-(N+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity Monsanto Company (US) 2005-10-26 — — EP disclosed
EP-1115695-B1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2005-06-01 — — EP disclosed
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2005-02-24 — — US disclosed
US-6803388-B2 TREATING ATHEROSCLEROSIS AND CORONARY ARTERY DISEASES; STEREOSELECTIVE; CHEMICAL INTERMEDIATES PFIZER, INC. 2004-10-12 — — US disclosed
US-6677341-B2 USEFUL FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASE;REACTING AN AMINE COMPOUND WITH AN EPOXIDE DERIVATIVE IN PRESENCE OF TRANSITION METAL SALT CATALYST PHARMACIA CORPORATION 2004-01-13 — — US disclosed
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-04-24 — — US disclosed
US-6544974-B2 Treating atherosclerosis and other coronary artery diseases. G.D. SEARLE & CO. 2003-04-08 — — US disclosed
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-03-13 — — US disclosed
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 — — US disclosed
US-6521607-B1 Preventing coronary artery disease PHARMACIA CORPORATION 2003-02-18 — — US disclosed
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-06 — — US disclosed
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-28 — — US disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity CETP, DBI, MTTP DNM1 926/4885PLA2G1B 3280/4885PLA2G2A 3352/4885
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP DNM1 926/4885PLA2G1B 3280/4885PLA2G2A 3352/4885
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP DNM1 926/4885PLA2G1B 3280/4885PLA2G2A 3352/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP DNM1 1207/4885PLA2G1B 1397/4885PLA2G2A 1562/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP DNM1 1243/4885PLA2G1B 1950/4885PLA2G2A 2199/4885
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP DNM1 1119/4885PLA2G1B 2309/4885PLA2G2A 2693/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP DNM1 1731/4885PLA2G1B 2259/4885PLA2G2A 2552/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP DNM1 926/4885PLA2G1B 3280/4885PLA2G2A 3352/4885
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP DNM1 1422/4885PLA2G1B 1876/4885PLA2G2A 2162/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.