SCHEMBL10130819

SCHEMBL10130819

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 5/20 0.43
ITGA2B P08514 5/20 0.43
PRSS3 P35030 5/20 0.43
F10 P00742 15/20 0.43
F2 P00734 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
MAOB P27338 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39

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
SCHEMBL10162975 0.92 F10 (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL10162812 0.89 MAOA (0.48) F10LMNAMAOAPTGS1MAOB
SCHEMBL10163012 0.89 MAOA (0.48) F10LMNAMAOAPTGS1MAOB
SCHEMBL9951426 0.89 MAOA (0.48) F10LMNAMAOAPTGS1MAOB
SCHEMBL12974049 0.85 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL2728538 0.85 MAOA (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL9951488 0.85 F10 (0.41) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10130749 0.83 MAOB (0.46) MAOAMAOBCALML3
SCHEMBL9951346 0.83 MAOA (0.47) F10LMNAMAOAPTGS1MAOB
SCHEMBL9950929 0.83 MAOA (0.47) F10LMNAMAOAPTGS1MAOB

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 ITGB3 2082/4885PRSS1 1592/4885PRSS2 2199/4885

“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.