SCHEMBL10161328

SCHEMBL10161328

CC(=O)NC[C@H]1CN(c2ccc(C3CCN(C(C)=O)C3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.62
MAOB P27338 5/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 2/20 0.49

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
SCHEMBL6398288 0.93 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396947 0.93 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7711301 0.93 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL27364287 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398578 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398581 0.92 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8030283 0.91 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7985477 0.91 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6402337 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6401626 0.89 MAOA (0.61) 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 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 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.