SCHEMBL13015169

SCHEMBL13015169

CC(C)(C)N1CCC2(CC1)OC(=O)Cc1ncncc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
NPY5R Q15761 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL403661 0.80 AVPR1A (0.40) SIGMAR1NPY5RGRIN2DGRIN3BCHRM2
SCHEMBL13015175 0.78 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12219041 0.78 SIGMAR1 (0.42) SIGMAR1NPY5RGRIN2DGRIN3BCHRM2
SCHEMBL12219040 0.75 SIGMAR1 (0.42) SIGMAR1NPY5RGRIN2DGRIN3BCHRM2
SCHEMBL13015170 0.75 SIGMAR1 (0.34) SIGMAR1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL15935552 0.71 DGAT1 (0.30)
SCHEMBL12219039 0.71 SIGMAR1 (0.61) SIGMAR1NPY5RGRIN2DGRIN3BCHRM2
SCHEMBL12219042 0.68 AVPR1A (0.41) SIGMAR1NPY5RGRIN2DGRIN3BCHRM2
SCHEMBL8110392 0.63 SIGMAR1 (0.58) SIGMAR1NPY5R
SCHEMBL13342755 0.62 KCNH2 (0.52) NPY5RGRIN2DGRIN3BCHRM2CHRM1

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-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 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 (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-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL SIGMAR1 562/4885NPY5R 51/4885GRIN2D 497/4885

“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.