SCHEMBL10130732

SCHEMBL10130732

COc1cc2c(cc1C)CN(C(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
MAOB P27338 4/20 0.50
MAOA P21397 2/20 0.50
SLC6A4 P31645 1/20 0.50
PDE4D Q08499 1/20 0.45
CA7 P43166 1/20 0.44
MAP3K5 Q99683 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8035323 0.90 HRH3 (0.61) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL18033522 0.85 HRH3 (0.43) HRH3MAOBMAOASLC6A4MAP3K5
SCHEMBL29557863 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL29520625 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL26922403 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL24620314 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL29516213 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL2202209 0.83 HRH3 (0.51) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL12938115 0.79 HRH3 (0.46) HRH3MAOBMAOASLC6A4PDE4D
SCHEMBL24746023 0.79 MAOA (0.80) MAOBMAOASLC6A4PDE4DCA7

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 HRH3 2777/4885MAOB 227/4885MAOA 673/4885

“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.