SCHEMBL10162609

SCHEMBL10162609

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.50
MAOA P21397 4/20 0.49
MAOB P27338 2/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
PDE4B Q07343 1/20 0.48
ABCB11 O95342 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
SCHEMBL10162818 0.91 F10 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162624 0.88 F10 (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162425 0.87 MAOA (0.51) F10MAOAMAOBLMNAPTGS1
SCHEMBL12973884 0.86 F10 (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162513 0.86 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL10163577 0.84 F10 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL7023530 0.84 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL10163565 0.83 F10 (0.53) F10PDE4B
SCHEMBL6397462 0.83 F10 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL6397455 0.83 F10 (0.53) F10MAOAMAOBLMNAPTGS1

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 2700/4885MAOA 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.