SCHEMBL1325328

SCHEMBL1325328

CCCC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=S)NCCc2c[nH]nn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.42
MC5R P33032 16/20 0.42
MC3R P41968 10/20 0.42
MC1R Q01726 9/20 0.42
CYP51A1 Q16850 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL1311389 0.93 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309547 0.91 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL1324336 0.87 MC4R (0.40) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1325458 0.86 MC4R (0.49) MC4RMC5RMC3RMC1R
SCHEMBL1325586 0.86 MC4R (0.48) MC4RMC5RMC3RMC1R
SCHEMBL2319412 0.86 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL15673932 0.85 MC4R (0.35) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL15016822 0.84 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL1309343 0.84 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL15016450 0.83 MC4R (0.42) MC4RMC5RMC3RMC1RHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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-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

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-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-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.