SCHEMBL10132376

SCHEMBL10132376

c1cc([C@@]23C[C@@H]2CN(CC2CC2)C3)ccc1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 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
SCHEMBL10131034 0.89 PRKDC (0.40) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL10132333 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10132331 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10130902 0.84 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10130862 0.83 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10130858 0.83 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10130859 0.83 KCNH2 (0.47) KCNH2SIGMAR1
SCHEMBL10132374 0.82 DRD2 (0.39) KCNH2SIGMAR1
SCHEMBL11479464 0.81 CHRM3 (0.45) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL10132377 0.81 BMPR1B (0.41) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1

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-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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 (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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 SCN1A 845/4885SCN4A 689/4885SCN7A 2107/4885

“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.