SCHEMBL4513014

SCHEMBL4513014

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.53
TACR1 P25103 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR2 P41597 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
NPY5R Q15761 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
SCHEMBL4521213 0.93 MC4R (0.54) MC4RTACR1MC5RMC3RLMNA
SCHEMBL4521867 0.90 CYP1A2 (0.58) MC4RTACR1CYP1A2CYP3A4CYP2D6
SCHEMBL4519175 0.88 MC4R (0.59) MC4RTACR1MC5RMC3RLMNA
SCHEMBL4525299 0.87 MC4R (0.54) MC4RTACR1CYP1A2CYP3A4CYP2D6
SCHEMBL4531426 0.86 TACR1 (0.59) MC4RTACR1CYP1A2CYP3A4CYP2D6
SCHEMBL4520256 0.84 MC4R (0.54) MC4RTACR1MC5RMC3RLMNA
SCHEMBL13790199 0.83 ALDH1A1 (0.58) MC4RTACR1CYP1A2CYP3A4CYP2D6
SCHEMBL4529533 0.83 MC4R (0.63) MC4RTACR1MC5RMC3RLMNA
SCHEMBL4514754 0.83 MC4R (0.56) MC4RTACR1MC5RMC3RLMNA
SCHEMBL4532240 0.83 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 MC4R 2/4885TACR1 126/4885CYP1A2 239/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885TACR1 126/4885CYP1A2 239/4885

“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.