SCHEMBL4512262

SCHEMBL4512262

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.63
MC4R P32245 6/20 0.53
KMT2A Q03164 2/20 0.44
P2RX7 Q99572 5/20 0.42
KCNQ2 O43526 1/20 0.42
MC3R P41968 1/20 0.42

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
SCHEMBL4510829 0.91 MC4R (0.55) TACR1MC4RKMT2AP2RX7
SCHEMBL4521554 0.91 MC4R (0.55) TACR1MC4RKMT2AP2RX7
SCHEMBL13790233 0.91 MC4R (0.55) TACR1MC4RKMT2AP2RX7
SCHEMBL4519750 0.88 TACR1 (0.57) TACR1MC4RKMT2A
SCHEMBL4523783 0.86 TACR1 (0.62) TACR1MC4RKMT2AKCNQ2
SCHEMBL4698287 0.86 TACR1 (0.63) TACR1MC4RKMT2AP2RX7
SCHEMBL4521193 0.84 TACR1 (0.53) TACR1MC4RKMT2A
SCHEMBL4523781 0.84 TACR1 (0.59) TACR1MC4RKMT2AMC3R
SCHEMBL4510751 0.83 TACR1 (0.64) TACR1MC4RKCNQ2
SCHEMBL4521557 0.83 TACR1 (0.60) TACR1MC4RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2/4885KMT2A 1330/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TACR1 126/4885MC4R 2/4885KMT2A 1330/4885

“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.