SCHEMBL4510751

SCHEMBL4510751

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.64
AKT1 P31749 3/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
MC4R P32245 8/20 0.48
KCNQ2 O43526 1/20 0.47
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
NPY5R Q15761 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6156128 0.89 AKT1 (0.57) TACR1AKT1AKT2AKT3MC4R
SCHEMBL4504452 0.89 AKT1 (0.57) TACR1AKT1AKT2AKT3MC4R
SCHEMBL4514596 0.89 AKT1 (0.57) TACR1AKT1AKT2AKT3MC4R
SCHEMBL14040467 0.86 AKT1 (0.53) TACR1AKT1AKT2AKT3MC4R
SCHEMBL4523783 0.85 TACR1 (0.62) TACR1MC4RKCNQ2LMNAGLA
SCHEMBL4512262 0.83 TACR1 (0.63) TACR1MC4RKCNQ2
SCHEMBL4523781 0.82 TACR1 (0.59) TACR1MC4R
SCHEMBL4531987 0.81 TACR1 (0.56) TACR1AKT1AKT2AKT3MC4R
SCHEMBL4521557 0.81 TACR1 (0.60) TACR1MC4R
SCHEMBL4531426 0.81 TACR1 (0.59) 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 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 126/4885AKT1 2882/4885AKT2 1873/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TACR1 126/4885AKT1 2882/4885AKT2 1873/4885

“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.