SCHEMBL7796045

SCHEMBL7796045

CCNc1cccc(CN)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.49
SCN5A Q14524 3/20 0.49
KCNH2 Q12809 2/20 0.49
APP P05067 4/20 0.39
HSD11B1 P28845 1/20 0.37
NCF1 P14598 1/20 0.36
CXCR4 P61073 1/20 0.36
GRM5 P41594 1/20 0.36
AOC1 P19801 1/20 0.35
AOC3 Q16853 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL513006 0.85 APP (0.43) CACNA1CSCN5AKCNH2APPCXCR4
SCHEMBL12895814 0.84 CACNA1C (0.56) CACNA1CSCN5AKCNH2APPHSD11B1
SCHEMBL14518469 0.81 SCN5A (0.66) CACNA1CSCN5AKCNH2HSD11B1GRM5
SCHEMBL20436538 0.81 CACNA1C (0.49) CACNA1CSCN5AKCNH2APPHSD11B1
SCHEMBL5631959 0.80 APP (0.47) SCN5AKCNH2APPNCF1AOC1
SCHEMBL29907615 0.80 APP (0.47) SCN5AKCNH2APPNCF1AOC1
SCHEMBL1040083 0.79 KCNH2 (0.47) CACNA1CSCN5AKCNH2APPHSD11B1
SCHEMBL22388250 0.78 CACNA1C (0.46) CACNA1CSCN5AKCNH2APPHSD11B1
SCHEMBL7040754 0.78 KCNH2 (0.46) CACNA1CSCN5AKCNH2APPHSD11B1
SCHEMBL18160808 0.77 NCF1 (0.36) CACNA1CSCN5AKCNH2APPNCF1

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-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL CACNA1C 929/4885SCN5A 1523/4885KCNH2 3309/4885

“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.