SCHEMBL4510704

SCHEMBL4510704

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
MC4R P32245 13/20 0.47
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
NPY5R Q15761 1/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44
TGM2 P21980 2/20 0.43
TGM6 O95932 1/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4509742 0.88 TACR1 (0.51) TACR1MC4RLMNAGLATSHR
SCHEMBL4517332 0.87 TACR1 (0.51) TACR1MC4RLMNAGLATSHR
SCHEMBL4520314 0.87 MC4R (0.53) TACR1MC4RLMNAGLATSHR
SCHEMBL4510829 0.86 MC4R (0.55) TACR1MC4RLMNAGLATSHR
SCHEMBL13790233 0.86 MC4R (0.55) TACR1MC4RLMNAGLATSHR
SCHEMBL4521554 0.86 MC4R (0.55) TACR1MC4RLMNAGLATSHR
SCHEMBL4532240 0.86 TACR1 (0.54) TACR1MC4RLMNAGLATSHR
SCHEMBL4519175 0.84 MC4R (0.59) TACR1MC4RLMNAGLATSHR
SCHEMBL4505547 0.83 LMNA (0.56) TACR1MC4RLMNAGLATSHR
SCHEMBL4506599 0.82 TACR1 (0.52) TACR1MC4RLMNAGLATSHR

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 2/4885LMNA 3009/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TACR1 126/4885MC4R 2/4885LMNA 3009/4885

“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.