SCHEMBL4127326

SCHEMBL4127326

CN(C)Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 3/20 0.40
EPHB4 P54760 3/20 0.40
KDR P35968 2/20 0.40
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
GPR119 Q8TDV5 10/20 0.38
ACHE P22303 1/20 0.37
ERBB2 P04626 1/20 0.36
OPRK1 P41145 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL4113058 0.93 EPHA2 (0.41) EPHA2EPHB4KDRPPARGPPARD
SCHEMBL4125364 0.91 ACHE (0.41) PPARGPPARDPPARAACHENR1H2
SCHEMBL13596157 0.89 GPR119 (0.41) GPR119ACHE
SCHEMBL4119917 0.89 ACHE (0.45) KDRGPR119ACHE
SCHEMBL13596558 0.88 GPR119 (0.43) GPR119ACHE
Dimethylamine SCHEMBL4127332 0.88 EPHA2 (0.42) EPHA2EPHB4KDRGPR119ACHE
SCHEMBL4122307 0.87 GPR119 (0.43) GPR119ACHE
SCHEMBL4129872 0.86 ACHE (0.41) GPR119ACHE
SCHEMBL13596556 0.85 GPR119 (0.41) GPR119ACHE
SCHEMBL4126281 0.85 CSF1R (0.42) GPR119ACHE

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 EPHA2 3556/4885EPHB4 3223/4885KDR 3127/4885

“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.