SCHEMBL1309434

SCHEMBL1309434

CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.59
MC5R P33032 16/20 0.59
MC3R P41968 13/20 0.59
MC1R Q01726 13/20 0.59
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 1/20 0.47
CACNA1B Q00975 1/20 0.46

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
SCHEMBL1309435 1.00 MC4R (0.59) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1308699 0.91 MC4R (0.49) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1308702 0.91 MC4R (0.49) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1308557 0.91 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1308553 0.91 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL6200842 0.84 MC4R (0.55) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL7658037 0.83 MC4R (0.53) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL7658043 0.83 MC4R (0.53) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL6200844 0.83 MC4R (0.58) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1309061 0.82 MC4R (0.56) MC4RMC5RMC3RMC1RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877968-B2 Melanocortin receptor modulators, process for preparing them and use there in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-04 US disclosed
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 EP disclosed
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 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 (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-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 MC4R 486/4885MC5R 310/4885MC3R 327/4885
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R MC4R 4/4885MC5R 2/4885MC3R 3/4885

“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.