SCHEMBL405160

SCHEMBL405160

CC(C)(C)N1CCC2(CC1)NC(=O)CC2=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ OTUD7B Q6GQQ9 1/20 0.30

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
SCHEMBL11927507 0.79 NEK2 (0.47) CHRM2OPRM1OTUD7B
SCHEMBL18213841 0.77 CYP3A4 (0.36) —
SCHEMBL8230583 0.73 CRBN (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13924898 0.72 KMT2A (0.36) —
SCHEMBL30832405 0.72 PDE7A (0.33) —
SCHEMBL22804814 0.72 CRBN (0.32) —
SCHEMBL21341554 0.72 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12312682 0.71 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22256974 0.71 IDO1 (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL25990796 0.71 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 — — US disclosed
US-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-05-08 — — US disclosed
US-20120065190-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 — — US disclosed
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — 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 (3 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-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL GRIN2D 426/4885GRIN3B 246/4885CHRM2 117/4885
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL GRIN2D 497/4885GRIN3B 280/4885CHRM2 212/4885
US-20120065190-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL GRIN2D 426/4885GRIN3B 246/4885CHRM2 117/4885

“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.

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