SCHEMBL4134462

SCHEMBL4134462

C/C=C\c1c(CNCc2ccc(C#N)cc2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.42
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 3/20 0.34
CHRM4 P08173 2/20 0.32

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
SCHEMBL4132611 1.00 ACHE (0.42) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4132603 1.00 ACHE (0.42) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4122321 0.92 ACHE (0.43) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4126169 0.87 ACHE (0.43) ACHEMAOAMAOBBCHECHRM4
Dimethylamine SCHEMBL4121363 0.87 ACHE (0.43) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4121357 0.85 ACHE (0.42) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4132606 0.84 ACHE (0.42) ACHEMAOAMAOBBCHECHRM4
SCHEMBL4134466 0.84 ACHE (0.42) ACHEMAOAMAOBBCHECHRM4
Fumaric Acid SCHEMBL4120238 0.84 ACHE (0.41) ACHEMAOAMAOBBCHECHRM4
Fumaric Acid SCHEMBL4126539 0.84 ACHE (0.41) ACHEMAOAMAOBBCHECHRM4

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885MAOA 1717/4885MAOB 1269/4885

“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.