SCHEMBL12372810

SCHEMBL12372810

CC(C)(C)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
TNKS O95271 2/20 0.52
TNKS2 Q9H2K2 1/20 0.52
CALCRL Q16602 15/20 0.52
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL1700324 0.86 CALCRL (0.56) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL15205127 0.85 TNKS (0.61) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL13351308 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL12655389 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL12402801 0.83 CALCRL (0.55) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL13380149 0.82 CALCRL (0.56) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL14028501 0.82 CALCRL (0.37) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL14046378 0.82 DRD2 (0.56) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL16456308 0.82 TNKS (0.58) OPRM1OPRD1OPRK1OPRL1TNKS
SCHEMBL14028503 0.82 MAP3K11 (0.39) OPRM1OPRD1OPRK1OPRL1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994325-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK SHARP & DOHME CORP. (US) 2011-08-09 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 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-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R OPRM1 39/4885OPRD1 63/4885OPRK1 35/4885

“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.