SCHEMBL2487176

SCHEMBL2487176

NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 4/20 0.77
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CACNA1G O43497 2/20 0.60
CACNA1H O95180 2/20 0.60
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
FAAH O00519 2/20 0.59
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
PPP1CA P62136 1/20 0.56
MALT1 Q9UDY8 2/20 0.56
BCL2 P10415 2/20 0.54
MDM2 Q00987 2/20 0.54
MCL1 Q07820 2/20 0.54

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
SCHEMBL27694888 0.90 KMT2A (0.71) RPA1MEN1KMT2AL3MBTL1CACNA1G
SCHEMBL695352 0.87 RPA1 (1.00) RPA1MEN1KMT2AL3MBTL1CACNA1G
SCHEMBL6341777 0.86 CA9 (0.70)
SCHEMBL9209551 0.85 ALOX5 (0.60) RPA1MEN1KMT2AL3MBTL1FAAH
SCHEMBL22748927 0.84 RPA1 (0.77) RPA1MEN1KMT2AL3MBTL1CACNA1G
Hydrochloric Acid SCHEMBL6315493 0.83 RPA1 (0.65) RPA1MEN1KMT2AL3MBTL1CACNA1G
SCHEMBL16105107 0.82 SLC5A1 (0.56) RPA1CACNA1GCACNA1H
SCHEMBL16105605 0.81 FAAH (0.59) RPA1FAAH
Hydrochloric Acid SCHEMBL6315490 0.81 RPA1 (0.62) RPA1MEN1KMT2AL3MBTL1CACNA1G
SCHEMBL16105650 0.80 SLC5A1 (0.54) RPA1CACNA1GCACNA1HFAAHCNR1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 EP disclosed
EP-1896445-B1 ( 6-FLU0R0-BENZ0[l, 3] DIOXOLYL) -MORPHOLIN-4-YL-METHANONES AND THEIR USE AS CBl LIGANDS HOFFMANN LA ROCHE (CH) 2010-11-10 EP disclosed
US-7781593-B2 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES FREI BEAT 2010-03-04 US disclosed
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
EP-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2066636-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
EP-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 EP disclosed
US-20060004055-A1 Derivative of 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(piperidine-1-yl)-1H-pyrazole-3-carboxamide, the preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
EP-1583758-A1 DERIVATIVE OF 5-(4-BROMOPHENYL)-1-(2,4-DICHLOROPHENLY)-4-ETHYL-N-(PIPERIDINE-1-YL)-1H-PYRAZOL-3-CARBOXAMIDE, THE PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-10-12 EP disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1494673-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2005-01-12 EP disclosed
US-6825209-B2 AN AMIDE DERIVATIVE USED AS CANNABINOID ANTAGONIST FOR THE TREATMENT OF OBESITY, SCHIZOPHRENIA, MEMORY DYSFUNCTION AND MARIJUANA ABUSE RESEARCH TRIANGLE INSTITUTE 2004-11-30 US disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004058744-A1 DERIVATIVE OF 5-(4-BROMOPHENYL)-1-(2,4-DICHLOROPHENLY)-4-ETHYL-N-(PIPERIDINE-1-YL)-1H-PYRAZOL-3-CARBOXAMIDE, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-07-15 WO disclosed
WO-2003088968-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 WO disclosed
US-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use RESEARCH TRIANGLE INSTITUTE (US) 2003-10-23 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 (5 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-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use CNR1, CNR2, GPR18 RPA1 3340/4885MEN1 4450/4885KMT2A 1717/4885
US-20060004055-A1 Derivative of 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(piperidine-1-yl)-1H-pyrazole-3-carboxamide, the preparation and therapeutic use thereof CYP11B2, CYP4B1, CYP3A5 RPA1 4714/4885MEN1 2691/4885KMT2A 3157/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 RPA1 4764/4885MEN1 2979/4885KMT2A 3559/4885
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R RPA1 4527/4885MEN1 2160/4885KMT2A 4280/4885
US-20100056513-A1 STEREOSPECIFICALLY SUBSTITUTED BENZO[1,3]DIOXOLYL DERIVATIVES CNR1, CNR2, NPY1R RPA1 4658/4885MEN1 1914/4885KMT2A 2820/4885

“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.