SCHEMBL9951537

SCHEMBL9951537

CC(C)(C)OC(=O)N1CC2CC2(c2ccc(N3C[C@H](CO)OC3=O)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MGLL Q99685 2/20 0.41
SIGMAR1 Q99720 7/20 0.39
CALML3 P27482 3/20 0.38
GRM2 Q14416 2/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL2715178 0.92 F10 (0.41) MGLLSIGMAR1GRM2RORC
SCHEMBL2715177 0.92 F10 (0.41) MGLLSIGMAR1GRM2RORC
SCHEMBL9950569 0.88 MAOA (0.46) MAOAMAOBCALML3
SCHEMBL9951169 0.88 F10 (0.39) MAOAMAOBSIGMAR1CALML3GRM2
SCHEMBL9951198 0.88 GPR119 (0.37) MGLLSIGMAR1GRM2
SCHEMBL2712444 0.88 F10 (0.39) MAOAMAOBSIGMAR1CALML3GRM2
SCHEMBL10130749 0.86 MAOB (0.46) MAOAMAOBMGLLSIGMAR1CALML3
SCHEMBL12974055 0.81 F10 (0.43) MGLLSIGMAR1GRM2
SCHEMBL9951166 0.81 MGLL (0.36) MGLLSIGMAR1GRM2RORC
SCHEMBL9951540 0.80 MGLL (0.40) MGLLRORC

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 2 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

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 227/4885MGLL 4807/4885

“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.