SCHEMBL4530250

SCHEMBL4530250

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.51
NPY5R Q15761 1/20 0.51
TACR1 P25103 1/20 0.51
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL4506599 0.93 TACR1 (0.52) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4521113 0.91 MC4R (0.49) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4519175 0.88 MC4R (0.59) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4505547 0.86 LMNA (0.56) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4512449 0.86 TACR1 (0.48) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4532240 0.86 TACR1 (0.54) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4513687 0.85 TACR1 (0.53) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4520314 0.85 MC4R (0.53) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4733382 0.85 MC4R (0.54) MC4RNPY5RTACR1LMNAGLA
SCHEMBL4519231 0.85 MC4R (0.54) MC4RNPY5RTACR1LMNAGLA

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 9 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
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 2/4885NPY5R 16/4885TACR1 126/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885NPY5R 16/4885TACR1 126/4885

“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.