SCHEMBL4519904

SCHEMBL4519904

CN(C)Cc1ccccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 15/20 0.56
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MC5R P33032 1/20 0.49
MC3R P41968 1/20 0.49
MC1R Q01726 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4677238 0.90 MC4R (0.58) MC4RKMT2AMEN1ALDH1A1MC5R
SCHEMBL4520460 0.90 MC4R (0.60) MC4RKMT2AMEN1ALDH1A1MC5R
SCHEMBL4523143 0.86 MC4R (0.63) MC4RKMT2AMEN1ALDH1A1MC5R
SCHEMBL4519772 0.85 MC4R (0.58) MC4RKMT2AMEN1ALDH1A1MC5R
SCHEMBL4521475 0.85 MC4R (0.56) MC4RKMT2AMEN1ALDH1A1MC5R
SCHEMBL4521567 0.81 MC4R (0.80) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4523145 0.80 MC4R (0.58) MC4RMC5RMC3RMC1R
SCHEMBL14355697 0.79 MC4R (0.86) MC4RMC5RMC3RMC1R
SCHEMBL4514833 0.79 MC4R (0.86) MC4RMC5RMC3RMC1R
SCHEMBL4517301 0.78 MC4R (0.61) MC4RKMT2AMEN1ALDH1A1MC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885KMT2A 1330/4885MEN1 1339/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885KMT2A 1330/4885MEN1 1339/4885

“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.