SCHEMBL6772000

SCHEMBL6772000

COc1ccc(-c2ncccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C)c4ccccn4)cnc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 11/20 0.55
ADORA2A P29274 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MCHR1 Q99705 2/20 0.43
P2RY14 Q15391 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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) HPGDSADORA2ANPC1RAB9AMCHR1
SCHEMBL6770046 0.90 ADORA2A (0.47) HPGDSADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL6766033 0.89 ADORA2A (0.46) HPGDSADORA2A
SCHEMBL6769613 0.89 ADORA2A (0.46) HPGDSADORA2ANPC1RAB9AMCHR1
SCHEMBL6769816 0.88 TRPV1 (0.46) HPGDSADORA2A
SCHEMBL6766223 0.85 RAB9A (0.53) HPGDSNPC1RAB9AMCHR1P2RY14
SCHEMBL7688583 0.83 HPGDS (0.45) HPGDSADORA2ANPC1RAB9A
SCHEMBL6775259 0.79 TRPV1 (0.44)
SCHEMBL7679476 0.78 TRPV1 (0.43)
SCHEMBL6775048 0.77 HPGDS (0.44) HPGDSADORA2ANPC1RAB9AMCHR1

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 989/4885ADORA2A 3547/4885NPC1 70/4885

“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.