SCHEMBL2298743

SCHEMBL2298743

CCN1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
OPRK1 P41145 1/20 0.63
OPRL1 P41146 1/20 0.63
HTR7 P34969 13/20 0.57
HTR1A P08908 12/20 0.57
HTR2A P28223 12/20 0.57
HTR6 P50406 12/20 0.57
BACE1 P56817 1/20 0.53
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
POLB P06746 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL2302359 0.88 HTR7 (0.62) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL6636785 0.85 HTR7 (0.56) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL1700315 0.84 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL13806582 0.82 OPRM1 (0.59) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL25317024 0.82 HTR7 (0.62) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL4952229 0.82 OPRL1 (0.60) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL21626818 0.82 OPRM1 (0.44) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL25362517 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL25362520 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR7HTR1A
SCHEMBL29622026 0.81 BACE1 (0.68) OPRM1OPRK1OPRL1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO 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-7947678-B2 Heterocyclic benzodiazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BURGEY CHRISTOPHER S 2010-05-06 US disclosed
US-7659264-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 US disclosed
US-20090105228-A1 Heterocyclic benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (5 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 OPRM1 4336/4885OPRK1 4267/4885OPRL1 4241/4885
US-20090105228-A1 Heterocyclic benzodiazepine cgrp receptor antagonists BDKRB2, BDKRB1, CCKBR OPRM1 45/4885OPRK1 39/4885OPRL1 24/4885
US-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL OPRM1 94/4885OPRK1 35/4885OPRL1 15/4885
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R OPRM1 39/4885OPRK1 35/4885OPRL1 14/4885
US-20100113419-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 OPRM1 120/4885OPRK1 43/4885OPRL1 20/4885

“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.