SCHEMBL4387445

SCHEMBL4387445

OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=CCN1CCSCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNA3 P22001 1/20 0.30

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
SCHEMBL4387442 1.00 CYP2A13 (0.32) CYP2A13CHRM3KCNA3
SCHEMBL4387440 1.00 CYP2A13 (0.32) CYP2A13CHRM3KCNA3
SCHEMBL4387286 0.88 CHRM2 (0.39) CHRM3
SCHEMBL4387289 0.88 CHRM2 (0.39) CHRM3
SCHEMBL4387293 0.88 CHRM2 (0.39) CHRM3
SCHEMBL4387167 0.86 MEN1 (0.40)
SCHEMBL4387172 0.86 MEN1 (0.40)
SCHEMBL4387176 0.86 MEN1 (0.40)
SCHEMBL4386148 0.81 KCNA3 (0.32) CHRM3KCNA3
SCHEMBL4386141 0.81 KCNA3 (0.32) CHRM3KCNA3

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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 CYP2A13 389/4885CHRM3 14/4885KCNA3 423/4885

“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.