SCHEMBL4531426

SCHEMBL4531426

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.59
MC4R P32245 11/20 0.58
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48
NPY5R Q15761 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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 0.94 MC4R (0.59) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4521867 0.91 CYP1A2 (0.58) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL13790199 0.89 ALDH1A1 (0.58) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4514754 0.88 MC4R (0.56) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4521213 0.88 MC4R (0.54) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4520256 0.88 MC4R (0.54) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4525299 0.88 MC4R (0.54) TACR1MC4RLMNAGLATSHR
SCHEMBL4513687 0.87 TACR1 (0.53) TACR1MC4RKDM4EALDH1A1ALOX15
SCHEMBL4513014 0.86 MC4R (0.53) TACR1MC4RLMNAGLATSHR
SCHEMBL4532240 0.86 TACR1 (0.54) TACR1MC4RKDM4EALDH1A1LMNA

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 TACR1 126/4885MC4R 2/4885KDM4E 2235/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TACR1 126/4885MC4R 2/4885KDM4E 2235/4885

“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.