SCHEMBL1308553

SCHEMBL1308553

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.49
MC5R P33032 13/20 0.49
MC3R P41968 9/20 0.49
MC1R Q01726 9/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CACNA1B Q00975 2/20 0.48
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL1308557 1.00 MC4R (0.49) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309434 0.91 MC4R (0.59) MC4RMC5RMC3RMC1RCACNA1B
SCHEMBL1309435 0.91 MC4R (0.59) MC4RMC5RMC3RMC1RCACNA1B
SCHEMBL1308702 0.87 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1308699 0.87 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1309122 0.82 DPP4 (0.49) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309125 0.82 DPP4 (0.49) MC4RMC5RMC3RMC1RALDH1A1
Trifluoroacetic Acid SCHEMBL1309459 0.81 DPP4 (0.45) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1310141 0.80 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1307815 0.80 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-19 US disclosed
US-8962846-B2 Melanocortin receptor antagonist compounds, process for preparing them and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-24 US disclosed
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
EP-2352729-B1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-14 EP disclosed
WO-2012131090-A1 METHOD FOR TREATMENT OF XERODERMA PIGMENTOSUM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-04 WO disclosed
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-17 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-2352729-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
WO-2010052256-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, 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 (3 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-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R MC4R 4/4885MC5R 2/4885MC3R 3/4885
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
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF 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.