SCHEMBL5659005

SCHEMBL5659005

NC(Cc1ccc2[nH]ccc2c1)C(=O)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ROCK2 O75116 2/20 0.44
OPRD1 P41143 1/20 0.43
CALCRL Q16602 1/20 0.42
CHRNA7 P36544 1/20 0.41
DPP4 P27487 3/20 0.41
CHRM2 P08172 1/20 0.41
FAAH O00519 1/20 0.41
F10 P00742 3/20 0.40
F2 P00734 2/20 0.40
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
CCR3 P51677 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MAPK14 Q16539 1/20 0.39
AKT1 P31749 2/20 0.38
DPP7 Q9UHL4 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
SCHEMBL5657436 0.90 F10 (0.48) CYP3A4ROCK2OPRD1CALCRLCHRNA7
SCHEMBL5660890 0.88 CYP3A4 (0.46) CYP3A4ROCK2OPRD1CALCRLDPP4
SCHEMBL5659896 0.88 CALCRL (0.50) CYP3A4ROCK2OPRD1CALCRLCHRNA7
SCHEMBL5658992 0.84 CYP3A4 (0.62) CYP3A4ROCK2CALCRLAKT1
SCHEMBL5660926 0.83 OPRK1 (0.41) CYP3A4ROCK2OPRD1CALCRLDPP4
SCHEMBL4587732 0.82 CALCRL (0.59) CYP3A4ROCK2OPRD1CALCRLDPP4
SCHEMBL5660301 0.81 CALCRL (0.49) CYP3A4ROCK2OPRD1CALCRLCHRNA7
SCHEMBL5658362 0.80 ROCK2 (0.44) CYP3A4ROCK2OPRD1DPP4F10
SCHEMBL5660915 0.79 F10 (0.51) CYP3A4ROCK2OPRD1CALCRLDPP4
SCHEMBL5658735 0.78 CCNC (0.45) CYP3A4ROCK2OPRD1DPP4F10

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 CYP3A4 1053/4885ROCK2 4518/4885OPRD1 23/4885

“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.