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Sugi Predict / Compounds / SCHEMBL4517707

SCHEMBL4517707

SCHEMBL4517707

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.55
▸ ENPP2 Q13822 3/20 0.52
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ BCL2 P10415 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ MEN1 O00255 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
SCHEMBL4510471 0.84 MC4R (0.56) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4506745 0.84 MC4R (0.57) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4528335 0.83 MC4R (0.47) MC4RENPP2BCL2MCL1
SCHEMBL4521554 0.82 MC4R (0.55) MC4RLMNAKMT2A
SCHEMBL13790233 0.82 MC4R (0.55) MC4RLMNAKMT2A
SCHEMBL4506843 0.82 MC4R (0.55) MC4RKMT2AMAPK1HRH2HRH1
SCHEMBL4510829 0.82 MC4R (0.55) MC4RLMNAKMT2A
SCHEMBL9483007 0.81 ALDH1A1 (0.54) LMNAMAPTKMT2AMAPK1HRH2
SCHEMBL9483006 0.81 ALDH1A1 (0.54) LMNAMAPTKMT2AMAPK1HRH2
SCHEMBL5064576 0.81 HRH2 (0.58) MC4RKMT2AMAPK1HRH2HRH1

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
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 MC4R 2/4885ENPP2 475/4885LMNA 3009/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MC4R 2/4885ENPP2 475/4885LMNA 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.