SCHEMBL6694937

SCHEMBL6694937

N#Cc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.56
ITGA2B P08514 5/20 0.56
FAAH O00519 1/20 0.54
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
POLB P06746 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP21A2 P08686 1/20 0.47
CYP11B1 P15538 1/20 0.47
CHRM4 P08173 2/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A4 P31645 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
Hydrochloric Acid SCHEMBL6700195 0.99 ITGB3 (0.55) ITGB3ITGA2BFAAHHTR2AHTR2C
SCHEMBL6698553 0.91 FAAH (0.54) ITGB3ITGA2BFAAHCHRM4CHRM3
Citric Acid SCHEMBL6698618 0.89 ITGB3 (0.52) ITGB3ITGA2BFAAHHTR2AHTR2C
SCHEMBL6700094 0.85 ITGB3 (0.63) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL6647499 0.84 CYP17A1 (0.51) FAAHCYP17A1CYP21A2CYP11B1
SCHEMBL7239878 0.84 FAAH (0.49) ITGB3ITGA2BFAAHCHRM4CHRM3
SCHEMBL27760391 0.84 OPRM1 (0.58) FAAHCHRM4CHRM3
Hydrochloric Acid SCHEMBL6700203 0.83 CYP17A1 (0.50) FAAHCYP17A1CYP21A2CYP11B1
SCHEMBL6863340 0.82 DRD4 (0.64) FAAHCYP17A1CYP21A2CYP11B1CHRM4
SCHEMBL6698987 0.82 ITGB3 (0.60) ITGB3ITGA2BFAAHHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131222-C Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2003-12-17 CN claimed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US claimed
CN-1334808-A Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2002-02-06 CN claimed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP claimed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO claimed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
CN-1131222-C Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2003-12-17 CN disclosed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
CN-1334808-A Benzamide derivatives and their use as inhibitors of APOB-100 secretion GLAXO GROUP LTD (GB) 2002-02-06 CN disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP ITGB3 4265/4885ITGA2B 3776/4885FAAH 116/4885

“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.