SCHEMBL4521111

SCHEMBL4521111

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCCNC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.65
MC3R P41968 3/20 0.65
MC5R P33032 2/20 0.65
MC1R Q01726 1/20 0.65
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4506598 0.92 MC4R (0.61) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4530245 0.91 MC4R (0.72) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4520332 0.86 MC4R (0.72) MC4RMC3RMC5RMC1RMEN1
SCHEMBL13790219 0.86 MC4R (0.58) MC4RMC3RMC5RMC1R
SCHEMBL4520554 0.85 MC4R (0.55) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4512445 0.85 MC4R (0.55) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4523781 0.83 TACR1 (0.59) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4515112 0.83 MC4R (0.55) MC4RMC3RMC5RMC1RMEN1
SCHEMBL4519175 0.83 MC4R (0.59) MC4RMC3RMC5RMEN1ALDH1A1
SCHEMBL4517577 0.81 MC4R (0.53) MC4RMC3RMC5RMC1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US 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 2/4885MC3R 4/4885MC5R 1/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885MC3R 4/4885MC5R 1/4885

“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.