SCHEMBL70497

SCHEMBL70497

CC(C)(C)N1CC(C(=O)O)[C@H](c2ccc(F)cc2F)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.64
MC3R P41968 7/20 0.62
MC5R P33032 7/20 0.62
MC1R Q01726 7/20 0.62
KCNH2 Q12809 4/20 0.62
PRCP P42785 2/20 0.56

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
SCHEMBL3170759 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL71984 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL71981 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL29904550 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL15252713 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL91103 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL30593923 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL1920391 1.00 MC4R (0.64) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL4939210 0.99 MC4R (0.63) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL4939214 0.99 MC4R (0.63) MC4RMC3RMC5RMC1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 WO disclosed
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
US-8129413-B2 Crystalline forms of MC4R agonist and process for synthesis MERCK SHARP & DOHME CORP. (US) 2012-03-06 US disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 WO disclosed
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
WO-2007041052-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 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 (2 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-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R MC4R 1/4885MC3R 3/4885MC5R 2/4885
US-20090233967-A1 Crystalline forms of mc4r agonist and process for synthesis MC4R, MC3R, MC2R MC4R 1/4885MC3R 2/4885MC5R 4/4885

“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.