SCHEMBL3285226

SCHEMBL3285226

O[C@H](CNCc1cccc(OC(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.65
GAA P10253 1/20 0.51
MAPK14 Q16539 1/20 0.48
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL5182250 1.00 CETP (0.65) CETPGAAMAPK14ROCK2ROCK1
SCHEMBL2845282 0.89 CETP (0.54) CETP
SCHEMBL2845285 0.89 CETP (0.54) CETP
SCHEMBL169091 0.85 CETP (0.49) CETPMAPK14ROCK2ROCK1
SCHEMBL7805544 0.81 CETP (0.57) CETPMAPK14ROCK2ROCK1
SCHEMBL5392678 0.81 CETP (0.50) CETPMAPK14
SCHEMBL16896843 0.81 BCHE (0.52) CETPMAPK14
SCHEMBL165513 0.79 BACE1 (0.53) CETPMAPK14
SCHEMBL690312 0.79 CETP (1.00) CETP
SCHEMBL690363 0.79 CETP (1.00) CETP

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 21 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-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-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

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

For each of this compound's patents that has machine-readable text (10 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 CETP 1/4885GAA 3831/4885MAPK14 3374/4885
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP CETP 1/4885GAA 3831/4885MAPK14 3374/4885
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP CETP 1/4885GAA 3831/4885MAPK14 3374/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CETP 1/4885GAA 2932/4885MAPK14 4604/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CETP 1/4885GAA 2997/4885MAPK14 4299/4885
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CETP 1/4885GAA 3416/4885MAPK14 4464/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP CETP 1/4885GAA 3883/4885MAPK14 4096/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP CETP 1/4885GAA 3831/4885MAPK14 3374/4885
US-20030050317-A1 (R)-chiral halogenated substituted n,n-bis-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CETP 1/4885GAA 3241/4885MAPK14 4420/4885
US-20040044048-A1 (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CETP 1/4885GAA 3719/4885MAPK14 4037/4885

“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.