SCHEMBL14044482

SCHEMBL14044482

CCN1CCc2ccc(CN(C)C)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD1 P21728 1/20 0.50
HRH3 Q9Y5N1 3/20 0.45
QRFPR Q96P65 6/20 0.41
KCNH2 Q12809 3/20 0.41
CYP2D6 P10635 1/20 0.41
KCNE1 P15382 1/20 0.41
SCN5A Q14524 1/20 0.41
PNMT P11086 1/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12010845 0.82 DRD2 (0.47) DRD2DRD1HRH3QRFPRKCNH2
SCHEMBL14016691 0.81 QRFPR (0.40) HRH3QRFPRKCNH2CYP2D6KCNE1
SCHEMBL3282829 0.76 HRH3 (0.51) HRH3CYP2D6PARP1
SCHEMBL3279061 0.76 HRH3 (0.41) HRH3KCNH2PARP1ALDH1A1
SCHEMBL7645219 0.75 DRD2 (0.55) DRD2DRD1HRH3KCNH2PNMT
SCHEMBL13171826 0.75 HRH3 (0.50) DRD2DRD1HRH3PNMTALDH1A1
SCHEMBL20889998 0.75 HRH3 (0.50) DRD2DRD1HRH3PNMTALDH1A1
SCHEMBL3284914 0.74 ESR1 (0.51) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL11474315 0.74 DRD1 (0.82) DRD2DRD1HRH3PNMTALDH1A1
SCHEMBL1905994 0.74 DRD2 (0.54) DRD2DRD1HRH3KCNH2CYP2D6

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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA DRD2 608/4885DRD1 658/4885HRH3 106/4885

“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.