SCHEMBL6771208

SCHEMBL6771208

Cc1ccc(-c2ncccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C)c4ccccn4)cnc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
HPGDS O60760 2/20 0.45
TRPV1 Q8NER1 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTR2C P28335 2/20 0.41
MCHR1 Q99705 2/20 0.41
NR1I2 O75469 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6770046 0.93 ADORA2A (0.47) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6766033 0.91 ADORA2A (0.46) ADORA2AHPGDSTRPV1
SCHEMBL6772000 0.91 HPGDS (0.55) ADORA2AHPGDSNPC1RAB9AMCHR1
SCHEMBL6769613 0.91 ADORA2A (0.46) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6769816 0.90 TRPV1 (0.46) ADORA2AHPGDSTRPV1
SCHEMBL7688583 0.87 HPGDS (0.45) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6775048 0.84 HPGDS (0.44) ADORA2AHPGDSTRPV1NPC1RAB9A
SCHEMBL6769405 0.84 RAB9A (0.50) TRPV1NPC1RAB9APOLBHTR2C
SCHEMBL6775259 0.80 TRPV1 (0.44) TRPV1
SCHEMBL7679476 0.80 TRPV1 (0.43) TRPV1

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 989/4885TRPV1 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.