SCHEMBL6770046

SCHEMBL6770046

CC(C)c1ccc(-c2ncccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C)c4ccccn4)cnc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
TRPV1 Q8NER1 2/20 0.46
HPGDS O60760 3/20 0.44
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 1/20 0.37
CYP11B2 P19099 1/20 0.36
GRM4 Q14833 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.93 ADORA2A (0.47) ADORA2ATRPV1HPGDSNPC1RAB9A
SCHEMBL6772000 0.90 HPGDS (0.55) ADORA2AHPGDSNPC1RAB9ASMN1; SMN2
SCHEMBL6766033 0.90 ADORA2A (0.46) ADORA2ATRPV1HPGDS
SCHEMBL6769613 0.90 ADORA2A (0.46) ADORA2ATRPV1HPGDSNPC1RAB9A
SCHEMBL6769816 0.90 TRPV1 (0.46) ADORA2ATRPV1HPGDS
SCHEMBL6770277 0.86 TRPV1 (0.52) TRPV1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL7688583 0.84 HPGDS (0.45) ADORA2ATRPV1HPGDSNPC1RAB9A
SCHEMBL7679476 0.80 TRPV1 (0.43) TRPV1
SCHEMBL6775259 0.80 TRPV1 (0.44) TRPV1
SCHEMBL6775048 0.79 HPGDS (0.44) ADORA2ATRPV1HPGDSNPC1RAB9A

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 3 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

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 3547/4885TRPV1 3593/4885HPGDS 989/4885

“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.