SCHEMBL6769613

SCHEMBL6769613

CCc1ccc(-c2ncccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C)c4ccccn4)cnc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
HPGDS O60760 3/20 0.43
PPARG P37231 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IL6 P05231 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL6771208 0.91 ADORA2A (0.47) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6770046 0.90 ADORA2A (0.47) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6772000 0.89 HPGDS (0.55) ADORA2AHPGDSNPC1RAB9AMCHR1
SCHEMBL6766033 0.89 ADORA2A (0.46) ADORA2AHPGDSTRPV1
SCHEMBL6769816 0.88 TRPV1 (0.46) ADORA2AHPGDSTRPV1
SCHEMBL6770352 0.85 TRPV1 (0.46) TRPV1NPC1RAB9AHTR2CMCHR1
SCHEMBL7688583 0.83 HPGDS (0.45) ADORA2AHPGDSPPARGTRPV1NPC1
SCHEMBL6775259 0.82 TRPV1 (0.44) TRPV1
SCHEMBL7679476 0.78 TRPV1 (0.43) TRPV1
SCHEMBL6775048 0.77 HPGDS (0.44) ADORA2AHPGDSTRPV1NPC1RAB9A

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 ADORA2A 3547/4885HPGDS 989/4885PPARG 271/4885

“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.