SCHEMBL4506745

SCHEMBL4506745

COC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.57
KMT2A Q03164 4/20 0.49
MAPK1 P28482 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
MC3R P41968 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
SCHEMBL4506843 0.89 MC4R (0.55) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4510471 0.86 MC4R (0.56) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4510829 0.84 MC4R (0.55) MC4RKMT2A
SCHEMBL4517707 0.84 MC4R (0.55) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4521554 0.84 MC4R (0.55) MC4RKMT2A
SCHEMBL13790233 0.84 MC4R (0.55) MC4RKMT2A
SCHEMBL4514985 0.83 MC4R (0.49) MC4RKMT2AMAPK1MEN1ALDH1A1
SCHEMBL15810045 0.82 HRH2 (0.58) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL5064576 0.82 HRH2 (0.58) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL15810046 0.82 HRH2 (0.58) MC4RKMT2AMAPK1HRH2HRH1

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
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
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP 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-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
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885KMT2A 1330/4885MAPK1 2191/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885KMT2A 1330/4885MAPK1 2191/4885

“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.