SCHEMBL10162837

SCHEMBL10162837

CC(=O)NC[C@H]1CN(c2ccc(C3CCN(Cc4ccccc4)C3)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.52
MAOA P21397 2/20 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
F2 P00734 3/20 0.47
CMA1 P23946 1/20 0.47
ABCB11 O95342 1/20 0.46

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
SCHEMBL10162689 0.89 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6396910 0.86 MAOA (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL6396915 0.86 MAOA (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162429 0.85 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162624 0.83 F10 (0.55) F10MAOAMAOBLMNAPTGS1
SCHEMBL10163588 0.83 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162818 0.82 F10 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL5384589 0.82 HDAC1 (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL6399364 0.82 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL6399367 0.82 F10 (0.46) 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.