SCHEMBL3514940

SCHEMBL3514940

O[C@H]1CCN(c2cc[c]cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
PRKDC P78527 1/20 0.38
PDE10A Q9Y233 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
SMPD3 Q9NY59 2/20 0.35
ABL1 P00519 1/20 0.34
MCHR1 Q99705 2/20 0.34
LRRK2 Q5S007 1/20 0.34
AOC3 Q16853 1/20 0.33
MELK Q14680 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL2068713 1.00 AR (0.38) ARPRKDCPDE10ATRPV1CDK1
SCHEMBL2066415 1.00 AR (0.38) ARPRKDCPDE10ATRPV1CDK1
SCHEMBL8199221 0.90 SMPD3 (0.39) PDE10ACDK1CDK2SMPD3MET
SCHEMBL8196445 0.88 PDE10A (0.32) PDE10A
SCHEMBL17316636 0.81 CHRM3 (0.36) PDE10ALRRK2
SCHEMBL8194003 0.81 PDE10A (0.33) PDE10A
SCHEMBL8199014 0.81 PDE10A (0.33) PDE10A
SCHEMBL8199009 0.81 PDE10A (0.33) PDE10A
SCHEMBL8196976 0.81 PDE10A (0.33) PDE10A
SCHEMBL8194229 0.78 PIK3CA (0.31)

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-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 AR 3601/4885PRKDC 189/4885PDE10A 2243/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 AR 3601/4885PRKDC 189/4885PDE10A 2243/4885

“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.