SCHEMBL63838

SCHEMBL63838

CC(=O)N[C@@H](C)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 18/20 0.82
MC3R P41968 7/20 0.82
MC5R P33032 6/20 0.75
PRCP P42785 2/20 0.61

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
SCHEMBL31737049 1.00 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL5184726 1.00 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL91100 1.00 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL4955821 1.00 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL70501 1.00 MC4R (0.82) MC4RMC3RMC5RPRCP
Hydrochloric Acid SCHEMBL29603726 0.99 MC4R (0.81) MC4RMC3RMC5RPRCP
SCHEMBL4577254 0.94 MC4R (0.73) MC4RMC3RMC5RPRCP
SCHEMBL4955655 0.94 MC4R (0.73) MC4RMC3RMC5RPRCP
SCHEMBL14540390 0.92 MC4R (0.73) MC4RMC3RMC5RPRCP
SCHEMBL27400401 0.92 MC4R (0.73) MC4RMC3RMC5RPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064632-A1 Combination Therapy for the Treatment of Obesity MERCK SHARP & DOHME CORP. 2008-03-13 US claimed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 US claimed
US-20050288213-A1 Combination therapy for the treatment of obesity BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-12-29 US claimed
US-8129413-B2 Crystalline forms of MC4R agonist and process for synthesis MERCK SHARP & DOHME CORP. (US) 2012-03-06 US disclosed
US-8129413-B2 Crystalline forms of MC4R agonist and process for synthesis MERCK SHARP & DOHME CORP. (US) 2012-03-06 US disclosed
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20080200376-A1 Compositions and Methods For the Treatment Of Obesity and Sexual Dysfunction MERCK & CO., INC. 2008-08-21 US disclosed
US-20080064632-A1 Combination Therapy for the Treatment of Obesity MERCK SHARP & DOHME CORP. 2008-03-13 US disclosed
WO-2007002462-A3 CRYSTALLINE FORMS OF MC4R AGONIST AND PROCESS FOR SYNTHESIS MERCK & CO INC (US) 2007-06-14 WO disclosed
EP-1383501-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 EP disclosed
WO-2007002462-A2 CRYSTALLINE FORMS OF MC4R AGONIST AND PROCESS FOR SYNTHESIS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002462-A2 CRYSTALLINE FORMS OF MC4R AGONIST AND PROCESS FOR SYNTHESIS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 US disclosed
US-20050288213-A1 Combination therapy for the treatment of obesity BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-12-29 US disclosed
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists UJJAINWALLA FEROZE 2004-12-30 US disclosed
US-6818658-B2 TREATING OBESITY, DIABETES, SEXUAL DYSFUNCTION, INCLUDING ERECTILE DYSFUNCTION AND FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2004-11-16 US disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 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 (7 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-20080200376-A1 Compositions and Methods For the Treatment Of Obesity and Sexual Dysfunction MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR MC4R 4/4885MC3R 9/4885MC5R 15/4885
US-20050288213-A1 Combination therapy for the treatment of obesity NPY5R, NPY4R, NPY2R MC4R 9/4885MC3R 20/4885MC5R 5/4885
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MC4R, MC3R, MC2R MC4R 1/4885MC3R 2/4885MC5R 4/4885
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-20060270650-A1 Combination therapy for the treatment of obesity GPR119, GANC, GANAB MC4R 10/4885MC3R 67/4885MC5R 64/4885

“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.