SCHEMBL4112441

SCHEMBL4112441

CN(C)Cc1c(OCc2ccc(C#N)cc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.42
YAP1 P46937 1/20 0.35
BCHE P06276 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KDM1A O60341 4/20 0.35
KCNH2 Q12809 1/20 0.35
PREP P48147 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL4124707 0.91 ACHE (0.44) ACHEYAP1BCHEKDM1APREP
SCHEMBL4126759 0.91 ACHE (0.45) ACHEBCHETRPM8
SCHEMBL4122307 0.91 GPR119 (0.43) ACHEYAP1GPR119
SCHEMBL4114201 0.90 ACHE (0.48) ACHEBCHE
SCHEMBL4126858 0.90 ACHE (0.39) ACHEBCHEKDM1ACHRM4
SCHEMBL4129360 0.90 ACHE (0.41) ACHEYAP1BCHEKDM1APREP
SCHEMBL4119841 0.90 ACHE (0.38) ACHEBCHEGPR119CHRM4
SCHEMBL4126868 0.90 ACHE (0.42) ACHEBCHEKDM1AKCNH2
SCHEMBL4131954 0.90 ACHE (0.42) ACHEBCHEPREP
SCHEMBL4120498 0.88 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 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 3716/4885YAP1 3743/4885BCHE 2215/4885

“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.