SCHEMBL3137708

SCHEMBL3137708

CCOC(=O)N1C2CCC1CC(C(=O)NC(C)(C)C)(C1CCCCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.41
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MC4R P32245 7/20 0.34
MC5R P33032 7/20 0.34
MC3R P41968 7/20 0.34
MC1R Q01726 7/20 0.34
CHRM4 P08173 2/20 0.33
CYP3A4 P08684 2/20 0.33
CHRM5 P08912 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3137349 0.82 CHRM1 (0.43) CHRM1THRBATML3MBTL1GRM5
SCHEMBL13270912 0.71 MC4R (0.37) L3MBTL1ALDH1A1MC4RMC5RMC3R
SCHEMBL3140304 0.70 CHRM2 (0.50) CHRM1GRM5ALDH1A1CHRM2CHRM3
Iodide SCHEMBL3144450 0.70 MC4R (0.37) L3MBTL1MC4RMC5RMC3RMC1R
SCHEMBL13677292 0.68 MC4R (0.46) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL15304325 0.68 GRM5 (0.49) CHRM1GRM5ALDH1A1CHRM4CHRM5
SCHEMBL1324396 0.68 EPHX1 (0.50) MC4RMC5RMC3RMC1R
SCHEMBL14111012 0.67 MC4R (0.45) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL17354962 0.67 CHRM1 (0.51) CHRM1THRBATML3MBTL1GRM5
SCHEMBL10063523 0.67 CHRM1 (0.51) CHRM1THRBATML3MBTL1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
EP-1610789-A4 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2008-02-27 EP disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-31 US disclosed
EP-1610789-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-01-04 EP disclosed
WO-2004087159-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-10-14 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-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CHRM1 568/4885THRB 737/4885ATM 4113/4885

“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.