SCHEMBL10163012

SCHEMBL10163012

CC(=O)NC[C@H]1CN(c2ccc([C@]34C[C@H]3CN(C(C)=O)C4)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 2/20 0.48
PTGS1 P23219 2/20 0.48
SDHA P31040 2/20 0.48
LMNA P02545 1/20 0.48
CALML3 P27482 1/20 0.48
F10 P00742 6/20 0.47
ABCB11 O95342 1/20 0.45

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
SCHEMBL10162812 1.00 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9951426 1.00 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10163011 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9950929 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9951346 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9950934 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9951282 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10161317 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10162975 0.92 F10 (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9951343 0.92 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA

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 3 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
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 673/4885MAOB 227/4885PTGS1 1631/4885

“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.