SCHEMBL4523783

SCHEMBL4523783

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)N2C[CH]C2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.62
MC4R P32245 10/20 0.45
NPY5R Q15761 1/20 0.44
KCNQ2 O43526 1/20 0.43
CALCA P06881 1/20 0.43
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4506599 0.90 TACR1 (0.52) TACR1MC4RNPY5RLMNAGLA
SCHEMBL4512262 0.86 TACR1 (0.63) TACR1MC4RKCNQ2KMT2A
SCHEMBL4523781 0.85 TACR1 (0.59) TACR1MC4RMEN1KMT2A
SCHEMBL4510751 0.85 TACR1 (0.64) TACR1MC4RNPY5RKCNQ2LMNA
SCHEMBL4521113 0.85 MC4R (0.49) TACR1MC4RNPY5RLMNAGLA
SCHEMBL4521557 0.84 TACR1 (0.60) TACR1MC4RCALCAMEN1KMT2A
SCHEMBL4531426 0.84 TACR1 (0.59) TACR1MC4RNPY5RLMNAGLA
SCHEMBL4530250 0.83 MC4R (0.51) TACR1MC4RNPY5RLMNAGLA
SCHEMBL4515822 0.82 MC4R (0.61) TACR1MC4R
SCHEMBL4519750 0.81 TACR1 (0.57) TACR1MC4RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 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
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 2/4885NPY5R 16/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TACR1 126/4885MC4R 2/4885NPY5R 16/4885

“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.