SCHEMBL7051829

SCHEMBL7051829

N#Cc1ccc(N2CCC[C@H](N)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 4/20 0.52
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
KDM1A O60341 9/20 0.47
HRH3 Q9Y5N1 2/20 0.45
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
LRRK2 Q5S007 1/20 0.43
PRKCQ Q04759 1/20 0.43
MAP4K1 Q92918 1/20 0.43

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
SCHEMBL7471234 1.00 TRPC6 (0.52) TRPC6KDM4ETP53KDM1AHRH3
SCHEMBL7466319 0.95 TRPC6 (0.48) TRPC6KDM4ETP53KDM1AHRH3
SCHEMBL1238920 0.90 KDM4E (0.50) TRPC6KDM4ETP53KDM1AHRH3
SCHEMBL31720517 0.83 KDM4E (0.52) TRPC6KDM4ETP53HRH3CHRNA10
SCHEMBL6501263 0.82 NOTUM (0.56) LRRK2PRKCQMAP4K1
SCHEMBL6496702 0.82 NOTUM (0.56) LRRK2PRKCQMAP4K1
SCHEMBL14637983 0.81 AR (0.50) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL1238733 0.80 KDM4E (0.58) KDM4ETP53KDM1AHRH3CHRNA10
SCHEMBL25431296 0.79 PIM1 (0.48) TRPC6
SCHEMBL30542820 0.79 PIM1 (0.48) TRPC6

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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 TRPC6 458/4885KDM4E 4216/4885TP53 3258/4885

“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.