SCHEMBL10162834

SCHEMBL10162834

COC(=O)NC[C@H]1CN(c2ccc(C3CCN(C(C)=O)C3)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.52
F2 P00734 3/20 0.45
ITGB3 P05106 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
ITGA2B P08514 2/20 0.45
PRSS3 P35030 2/20 0.45
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
MAOB P27338 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44

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
SCHEMBL10163565 0.93 F10 (0.53) F10F2
SCHEMBL10163552 0.92 F10 (0.51) F10F2ITGB3PRSS1PRSS2
SCHEMBL10162624 0.91 F10 (0.55) F10F2ITGB3PRSS1PRSS2
SCHEMBL10162818 0.87 F10 (0.53) F10LMNAMAOAPTGS1MAOB
SCHEMBL10162810 0.84 MAOB (0.48) F10MAOAMAOBCALML3
SCHEMBL10162513 0.82 F10 (0.52) F10F2LMNAMAOAPTGS1
SCHEMBL10162609 0.82 F10 (0.50) F10LMNAMAOAPTGS1MAOB
SCHEMBL10162425 0.82 MAOA (0.51) F10LMNAMAOAPTGS1MAOB
SCHEMBL10163577 0.81 F10 (0.53) F10F2LMNAMAOAPTGS1
SCHEMBL7299919 0.81 SIGMAR1 (0.47) F10MAOAMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F10 2700/4885F2 1022/4885ITGB3 2082/4885

“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.