Sugi Predict

Sugi Predict / Compounds / SCHEMBL3315600

SCHEMBL3315600

SCHEMBL3315600

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ DNM1 Q05193 5/20 0.34
▸ GGPS1 O95749 3/20 0.34
▸ CACNA1F O60840 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CES1 P23141 4/20 0.33
▸ FAAH O00519 4/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ CES2 O00748 1/20 0.32

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
SCHEMBL5203577 1.00 PLA2G1B (0.38) PLA2G1BPLA2G2ADNM1GGPS1CACNA1F
SCHEMBL3313375 0.85 DNM1 (0.37) PLA2G1BPLA2G2ADNM1GGPS1CES1
SCHEMBL5204920 0.85 DNM1 (0.37) PLA2G1BPLA2G2ADNM1GGPS1CES1
SCHEMBL5207642 0.85 DNM1 (0.37) PLA2G1BPLA2G2ADNM1GGPS1CES1
SCHEMBL3320341 0.83 KDM4E (0.34) PLA2G1BPLA2G2ADNM1GGPS1CES1
SCHEMBL5202044 0.83 KDM4E (0.34) PLA2G1BPLA2G2ADNM1GGPS1CES1
SCHEMBL3320507 0.82 DNM1 (0.34) PLA2G1BPLA2G2ADNM1GGPS1KCNH2
SCHEMBL17686362 0.77 GPR84 (0.43) CES1FAAHGPR84CES2CYP1A2
SCHEMBL8407962 0.77 GPR84 (0.43) CES1FAAHGPR84CES2CYP1A2
SCHEMBL11554779 0.77 GPR84 (0.43) CES1FAAHGPR84CES2CYP1A2

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 20 patents. 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-6723752-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-04-20 — — US disclosed
US-20040044048-A1 (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2004-03-04 — — US disclosed
US-6683113-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 — — 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-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

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 PLA2G1B 3280/4885PLA2G2A 3352/4885DNM1 926/4885
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP PLA2G1B 3280/4885PLA2G2A 3352/4885DNM1 926/4885
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP PLA2G1B 3280/4885PLA2G2A 3352/4885DNM1 926/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP PLA2G1B 1397/4885PLA2G2A 1562/4885DNM1 1207/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PLA2G1B 1950/4885PLA2G2A 2199/4885DNM1 1243/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP PLA2G1B 2259/4885PLA2G2A 2552/4885DNM1 1731/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP PLA2G1B 3280/4885PLA2G2A 3352/4885DNM1 926/4885
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP PLA2G1B 1876/4885PLA2G2A 2162/4885DNM1 1422/4885
US-20040044048-A1 (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PLA2G1B 1961/4885PLA2G2A 2355/4885DNM1 930/4885

“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.