SCHEMBL4521867

SCHEMBL4521867

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MC4R P32245 12/20 0.57
TACR1 P25103 1/20 0.52
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
MC3R P41968 2/20 0.48
MC5R P33032 1/20 0.48
NPY5R Q15761 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4519175 0.93 MC4R (0.59) MC4RTACR1LMNAGLATSHR
SCHEMBL4525299 0.92 MC4R (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4531426 0.91 TACR1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4513014 0.90 MC4R (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4520256 0.89 MC4R (0.54) MC4RTACR1LMNAGLATSHR
SCHEMBL13790199 0.88 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4529533 0.87 MC4R (0.63) MC4RTACR1LMNAGLATSHR
SCHEMBL4514754 0.87 MC4R (0.56) MC4RTACR1LMNAGLATSHR
SCHEMBL4521213 0.87 MC4R (0.54) MC4RTACR1LMNAGLATSHR
SCHEMBL4532240 0.87 TACR1 (0.54) MC4RTACR1LMNAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 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
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
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 CYP1A2 239/4885CYP3A4 788/4885CYP2D6 454/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CYP1A2 239/4885CYP3A4 788/4885CYP2D6 454/4885

“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.