SCHEMBL4120522

SCHEMBL4120522

CN(C)Cc1c(-c2cccnc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.46
KDM1A O60341 1/20 0.42
KIT P10721 1/20 0.41
GBA1 P04062 1/20 0.40
FAAH O00519 1/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL4114200 0.92 GPR119 (0.46) GPR119KDM1AKITGBA1FAAH
SCHEMBL13596326 0.92 KDM4E (0.42) GPR119FAAH
SCHEMBL4129621 0.91 GPR119 (0.47) GPR119FAAH
SCHEMBL4127997 0.90 ACHE (0.39)
SCHEMBL4115147 0.89 GPR119 (0.43) GPR119KDM1AKITGBA1FAAH
Dimethylamine SCHEMBL4120528 0.87 GPR119 (0.45) GPR119KDM1AKITGBA1FAAH
SCHEMBL4122097 0.86 GPR119 (0.42) GPR119FAAHSGMS2
SCHEMBL4136627 0.86 CETP (0.40) GPR119FAAH
SCHEMBL13596556 0.86 GPR119 (0.41) GPR119FAAHSGMS2
SCHEMBL4125607 0.85 GPR119 (0.46) GPR119

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 GPR119 122/4885KDM1A 1437/4885KIT 3040/4885

“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.