SCHEMBL6771082

SCHEMBL6771082

C[C@@H](NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cn3)ccc2c1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
BRAF P15056 1/20 0.41
TRPV1 Q8NER1 5/20 0.40
MCHR1 Q99705 1/20 0.40
PDE2A O00408 2/20 0.39
SMO Q99835 1/20 0.39
PTGES O14684 1/20 0.38
KMT2A Q03164 1/20 0.38
B3GNT2 Q9NY97 1/20 0.38
MTTP P55157 3/20 0.37

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
SCHEMBL7679884 0.90 TACR3 (0.42) BRAFTRPV1MCHR1SMOPTGES
SCHEMBL6769957 0.89 TRPV1 (0.41) BRAFTRPV1SMOMTTP
SCHEMBL6775048 0.89 HPGDS (0.44) HPGDSTRPV1MCHR1MTTP
SCHEMBL6769816 0.85 TRPV1 (0.46) HPGDSTRPV1
SCHEMBL6765643 0.83 TRPV1 (0.46) BRAFTRPV1MCHR1PTGESMTTP
SCHEMBL7688583 0.83 HPGDS (0.45) HPGDSTRPV1MTTP
SCHEMBL6771609 0.82 SMO (0.47) TRPV1SMOMTTP
SCHEMBL7926795 0.82 MTTP (0.52) MTTP
SCHEMBL7920131 0.81 MTTP (0.48) TRPV1SMOMTTP
SCHEMBL6052958 0.81 MTTP (0.49) HPGDSMTTP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP 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 (1 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-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP HPGDS 989/4885BRAF 4186/4885TRPV1 3593/4885

“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.