SCHEMBL10130826

SCHEMBL10130826

CC(=O)N1CC2CC2(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.51
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9951110 0.91 MAOA (0.47) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL2727332 0.91 MAOA (0.47) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL10131565 0.91 MAOA (0.47) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL10130829 0.86 CYP3A4 (0.54) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL10130749 0.84 MAOB (0.46) MAOAMAOB
SCHEMBL10130828 0.83 SIGMAR1 (0.49)
SCHEMBL9951426 0.81 MAOA (0.48) MAOAMAOB
SCHEMBL10162812 0.81 MAOA (0.48) MAOAMAOB
SCHEMBL10163012 0.81 MAOA (0.48) MAOAMAOB
SCHEMBL10162975 0.78 F10 (0.42) MAOAMAOB

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 4 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-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
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 WO 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 MAOA 673/4885CYP3A4 3/4885CYP2D6 5/4885

“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.