SCHEMBL4523779

SCHEMBL4523779

Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.44
OPRD1 P41143 3/20 0.44

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
SCHEMBL4532223 1.00 MC4R (0.52) MC4RKMT2AMEN1ALDH1A1OPRD1
SCHEMBL4517009 0.90 MC4R (0.51) MC4RKMT2AOPRD1
SCHEMBL4509514 0.89 MC4R (0.50) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4518653 0.87 MC4R (0.49) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4521370 0.87 MC4R (0.49) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4521373 0.87 MC4R (0.49) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4518649 0.87 MC4R (0.49) MC4RKMT2AMEN1ALDH1A1
SCHEMBL4698168 0.87 MC4R (0.45) MC4RKMT2AOPRD1
SCHEMBL4524576 0.87 MC4R (0.51) MC4RKMT2AMEN1ALDH1A1OPRD1
SCHEMBL4517301 0.87 MC4R (0.61) MC4RKMT2AMEN1ALDH1A1

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.