SCHEMBL9951299

SCHEMBL9951299

CC(=O)NC[C@H]1CN(c2ccc(C34CC3CN(C(=O)C(=O)c3ccco3)C4)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.42
MAOA P21397 5/20 0.42
MAOB P27338 2/20 0.42
PTGS1 P23219 2/20 0.42
SDHA P31040 2/20 0.42
LMNA P02545 1/20 0.42
CALML3 P27482 1/20 0.42
ABCB11 O95342 1/20 0.40
ITGB3 P05106 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
ITGA2B P08514 2/20 0.37
PRSS3 P35030 2/20 0.37

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
SCHEMBL10163012 0.85 MAOA (0.48) F10MAOAMAOBPTGS1SDHA
SCHEMBL10162812 0.85 MAOA (0.48) F10MAOAMAOBPTGS1SDHA
SCHEMBL9951426 0.85 MAOA (0.48) F10MAOAMAOBPTGS1SDHA
SCHEMBL10163011 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL9950929 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL9951346 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL10161317 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL9950934 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL9951282 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA
SCHEMBL9951343 0.83 MAOA (0.47) F10MAOAMAOBPTGS1SDHA

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 5 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
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 F10 2700/4885MAOA 673/4885MAOB 227/4885

“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.