SCHEMBL4136274

SCHEMBL4136274

C/C=C/c1c(N2CCOCC2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
GPR119 Q8TDV5 14/20 0.40
RECQL P46063 1/20 0.38
ACHE P22303 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
FAAH O00519 1/20 0.37
MTOR P42345 1/20 0.37
ATR Q13535 1/20 0.37
AURKB Q96GD4 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
SCHEMBL4120848 1.00 TGFBR1 (0.41) TGFBR1GPR119RECQLACHEPIK3CA
SCHEMBL4120844 1.00 TGFBR1 (0.41) TGFBR1GPR119RECQLACHEPIK3CA
SCHEMBL4125889 0.93 GPR119 (0.40) TGFBR1GPR119FAAH
SCHEMBL4129890 0.93 GPR119 (0.40) TGFBR1GPR119FAAH
SCHEMBL4125893 0.93 GPR119 (0.40) TGFBR1GPR119FAAH
SCHEMBL4120804 0.87 GPR119 (0.42) GPR119ACHEFAAH
SCHEMBL4128212 0.87 GPR119 (0.42) GPR119ACHEFAAH
SCHEMBL4120800 0.87 GPR119 (0.42) GPR119ACHEFAAH
SCHEMBL4120922 0.86 GPR119 (0.42) GPR119ACHEFAAH
SCHEMBL4112192 0.86 GPR119 (0.42) GPR119ACHEFAAH

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 TGFBR1 1008/4885GPR119 122/4885RECQL 3876/4885

“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.