SCHEMBL5657436

SCHEMBL5657436

CN1CCC(C2CCN(C(=O)C(N)Cc3ccc4[nH]ccc4c3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
OPRD1 P41143 3/20 0.45
CYP3A4 P08684 3/20 0.44
ROCK2 O75116 2/20 0.44
CHRNA7 P36544 1/20 0.43
CALCRL Q16602 1/20 0.42
DPP4 P27487 2/20 0.41
CHRM2 P08172 1/20 0.41
SMYD3 Q9H7B4 3/20 0.41
FAAH O00519 1/20 0.41
TGFBR1 P36897 1/20 0.39
KCNH2 Q12809 1/20 0.39
OPRK1 P41145 1/20 0.38

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
SCHEMBL5659005 0.90 CYP3A4 (0.44) F10OPRD1CYP3A4ROCK2CHRNA7
SCHEMBL5660301 0.89 CALCRL (0.49) F10OPRD1CYP3A4ROCK2CHRNA7
SCHEMBL5660915 0.89 F10 (0.51) F10OPRD1CYP3A4ROCK2CALCRL
SCHEMBL5660672 0.84 CYP3A4 (0.62) OPRD1CYP3A4ROCK2CALCRL
SCHEMBL5659284 0.84 F10 (0.43) F10OPRD1CYP3A4ROCK2CALCRL
SCHEMBL4587732 0.82 CALCRL (0.59) OPRD1CYP3A4ROCK2CALCRLDPP4
SCHEMBL5659896 0.82 CALCRL (0.50) OPRD1CYP3A4ROCK2CHRNA7CALCRL
SCHEMBL3279461 0.80 OPRK1 (0.47) OPRD1DPP4SMYD3OPRK1
SCHEMBL3603298 0.80 FAAH (0.46) OPRD1CYP3A4ROCK2DPP4CHRM2
SCHEMBL5661010 0.80 ROCK2 (0.44) OPRD1CYP3A4ROCK2DPP4SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL F10 709/4885OPRD1 23/4885CYP3A4 1053/4885

“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.