SCHEMBL4514754

SCHEMBL4514754

COc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3NS(C)(=O)=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.56
TACR1 P25103 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
POLB P06746 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) MC4RTACR1ALDH1A1LMNAKMT2A
SCHEMBL4521213 0.88 MC4R (0.54) MC4RTACR1ALDH1A1LMNAKMT2A
SCHEMBL4531426 0.88 TACR1 (0.59) MC4RTACR1ALDH1A1LMNAKDM4E
SCHEMBL4520256 0.88 MC4R (0.54) MC4RTACR1ALDH1A1LMNAKMT2A
SCHEMBL4521867 0.87 CYP1A2 (0.58) MC4RTACR1ALDH1A1LMNAKMT2A
SCHEMBL13790199 0.85 ALDH1A1 (0.58) MC4RTACR1ALDH1A1LMNAKMT2A
SCHEMBL4525985 0.85 MC4R (0.60) MC4RTACR1ALDH1A1LMNAKDM4E
SCHEMBL4513687 0.85 TACR1 (0.53) MC4RTACR1ALDH1A1LMNAKDM4E
SCHEMBL4505547 0.85 LMNA (0.56) MC4RTACR1LMNAKDM4EGLA
SCHEMBL4529533 0.85 MC4R (0.63) MC4RTACR1ALDH1A1LMNAKMT2A

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 10 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
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 126/4885ALDH1A1 686/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885TACR1 126/4885ALDH1A1 686/4885

“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.