SCHEMBL13559697

SCHEMBL13559697

CCN(C)CC1CCCN1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.40
CHRNA1 P02708 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36

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
SCHEMBL19114762 1.00 SIGMAR1 (0.43) SIGMAR1CYP1A2CHRNA1CHRNB1CHRNB2
SCHEMBL26619351 0.94 SIGMAR1 (0.49) SIGMAR1CYP1A2
SCHEMBL9927919 0.82 CYP1A2 (0.41) CYP1A2
SCHEMBL8266965 0.81 CYP1A2 (0.44) SIGMAR1CYP1A2
SCHEMBL960800 0.81 CYP1A2 (0.44) SIGMAR1CYP1A2
SCHEMBL960799 0.81 CYP1A2 (0.44) SIGMAR1CYP1A2
SCHEMBL26619377 0.79 SIGMAR1 (0.53) SIGMAR1CYP1A2
SCHEMBL22510272 0.79 SIGMAR1 (0.41) SIGMAR1CYP1A2
SCHEMBL13355763 0.78 SIGMAR1 (0.51) SIGMAR1
SCHEMBL24251786 0.78 CYP1A2 (0.41) SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP disclosed
EP-2518067-A1 Derivatives of N-[(1H-pyrazol-1-YL)aryl]-1H-indole or 1H- indazole-3-carboxamide and their therapeutic uses as P2Y12 antagonists SANOFI (FR) 2012-10-31 EP 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885CYP1A2 2605/4885CHRNA1 4190/4885

“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.