SCHEMBL3139752

SCHEMBL3139752

CCOC(=O)N1C2CCC1CC(c1ccc(Cl)cc1C(O)CC)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.48
DPP4 P27487 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRAF P15056 4/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL3130545 0.85 MC4R (0.49) CHRM1
SCHEMBL3140407 0.80 CHRM1 (0.52) CHRM1DPP4TSHRBRAFCHRM4
SCHEMBL4667819 0.77 CHRM1 (0.47) CHRM1DPP4TSHRBRAFCHRM4
SCHEMBL4667834 0.74 CHRM1 (0.50) CHRM1CHRM4CHRM5
SCHEMBL12896413 0.72 CHRM1 (0.48) CHRM1CHRM4CHRM5
SCHEMBL12897655 0.69 HTT (0.46) CHRM1BRAFCHRM4CHRM5
SCHEMBL6945954 0.69 CHRM1 (0.47) CHRM1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL14081578 0.68 CHRM1 (0.56) CHRM1CHRM4CHRM5
SCHEMBL13698500 0.67 FFAR4 (0.51) CHRM1CYP2C9
SCHEMBL13698553 0.67 SMN1; SMN2 (0.46) CHRM1TSHR

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 568/4885DPP4 136/4885CYP1A2 2781/4885

“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.