SCHEMBL5658225

SCHEMBL5658225

CN1CCC(C2CCN(C(=O)C(N)Cc3ccc4c(cnn4C)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.44
KDM1A O60341 3/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
DPP4 P27487 2/20 0.41
CTSC P53634 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
SMYD3 Q9H7B4 2/20 0.39
CREBBP Q92793 1/20 0.39
DRD4 P21917 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL5658735 0.91 CCNC (0.45) OPRD1KDM1ACCNCCDK8ROCK2
SCHEMBL5661343 0.89 KDM1A (0.41) OPRD1KDM1ACCNCCDK8ROCK2
SCHEMBL5662346 0.89 KDM1A (0.44) OPRD1KDM1ACCNCCDK8ROCK2
SCHEMBL5658864 0.84 KDM1A (0.43) OPRD1KDM1ACCNCCDK8ROCK2
SCHEMBL5658227 0.83 OPRK1 (0.39) OPRD1ROCK2CYP3A4DPP4SMYD3
SCHEMBL5656506 0.82 KDM1A (0.41) OPRD1KDM1ACCNCCDK8ROCK2
SCHEMBL5660672 0.81 CYP3A4 (0.62) OPRD1ROCK2CYP3A4
SCHEMBL3279461 0.79 OPRK1 (0.47) OPRD1DPP4SMYD3
SCHEMBL5657436 0.78 F10 (0.48) OPRD1ROCK2CYP3A4DPP4SMYD3
SCHEMBL30429936 0.78 DPP4 (0.60) OPRD1DPP4SMYD3

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 OPRD1 23/4885KDM1A 4125/4885CCNC 2475/4885

“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.