SCHEMBL12372809

SCHEMBL12372809

CC(C)(C)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
DRD4 P21917 1/20 0.64
DRD3 P35462 1/20 0.64
CCR5 P51681 1/20 0.48
KCNH2 Q12809 1/20 0.48
CALCRL Q16602 14/20 0.46
TNKS O95271 1/20 0.46
RAMP1 O60894 2/20 0.44
CTSS P25774 1/20 0.41
AKT1 P31749 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
SCHEMBL14410228 0.97 DRD2 (0.61) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14410225 0.87 DRD2 (0.49) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14410226 0.87 DRD2 (0.49) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL10316244 0.85 DRD2 (0.68) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL12400701 0.82 DRD2 (0.72) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14410230 0.82 DRD2 (0.46) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14410227 0.82 DRD2 (0.44) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14046376 0.82 DRD2 (0.75) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL14410178 0.82 DRD2 (0.64) DRD2DRD4DRD3CCR5KCNH2
SCHEMBL13801273 0.81 DRD2 (0.67) DRD2DRD4DRD3CCR5KCNH2

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 4 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-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
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 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 DRD2 805/4885DRD4 1703/4885DRD3 763/4885

“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.