SCHEMBL4679870

SCHEMBL4679870

O=C1NCC(c2ccccc2C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)N3C[CH]C3)CC2)N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 5/20 0.44
PYGL P06737 2/20 0.42
CCR1 P32246 6/20 0.42
CALCRL Q16602 5/20 0.41
CYP3A4 P08684 1/20 0.41
CALCA P06881 1/20 0.41
MC4R P32245 2/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
PYGM P11217 1/20 0.40

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
SCHEMBL4679868 0.88 MC4R (0.48) CYP51A1PYGLCCR1MC4RMC5R
SCHEMBL4700300 0.85 KMT2A (0.49) CYP51A1CCR1CALCRLMC4RMC5R
SCHEMBL4702664 0.85 MC4R (0.45) CYP51A1PYGLCCR1MC4R
SCHEMBL6739213 0.81 MAPK1 (0.47) CYP3A4MC4RMC5RMC3RMC1R
SCHEMBL4697707 0.81 MC4R (0.40) CYP51A1PYGLMC4RMC5RMC3R
SCHEMBL4697661 0.79 TACR1 (0.53) CYP51A1PYGLCCR1CALCAMC4R
SCHEMBL6322685 0.78 MC4R (0.41) CYP3A4MC4RMC5RMC3RMC1R
SCHEMBL4697863 0.74 MC4R (0.60) MC4R
SCHEMBL4703101 0.71 KMT2A (0.49) CCR1CALCRLMC4RMC5RMC3R
SCHEMBL4698284 0.70 MC4R (0.40) CYP3A4MC4RMC5RMC3RMC1R

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-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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 (1 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CYP51A1 397/4885PYGL 1132/4885CCR1 581/4885

“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.