SCHEMBL4115254

SCHEMBL4115254

CN(C)Cc1c(OCc2ccccn2)ccc2c(CCC3CCN(Cc4ccc(C#N)s4)CC3)noc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.43
BCHE P06276 3/20 0.37
CHRM4 P08173 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
Hydrochloric Acid SCHEMBL4119230 0.99 ACHE (0.43) ACHEBCHECHRM4JAK2JAK1
SCHEMBL4120365 0.89 ACHE (0.42) ACHEBCHEJAK2JAK1TYK2
SCHEMBL4120309 0.88 ACHE (0.53) ACHEBCHE
Hydrochloric Acid SCHEMBL4114972 0.88 ACHE (0.42) ACHEBCHEJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL4120780 0.88 ACHE (0.52) ACHEBCHE
Dimethylamine SCHEMBL4115258 0.88 ACHE (0.45) ACHEBCHECHRM4JAK2JAK1
Dimethylamine SCHEMBL4119237 0.87 ACHE (0.44) ACHEBCHECHRM4JAK2JAK1
SCHEMBL4113052 0.86 ACHE (0.59) ACHEBCHE
SCHEMBL4127377 0.86 ACHE (0.42) ACHEBCHE
Hydrochloric Acid SCHEMBL4120408 0.86 ACHE (0.58) ACHEBCHE

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 4 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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
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 3716/4885BCHE 2215/4885CHRM4 234/4885

“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.