SCHEMBL4121981

SCHEMBL4121981

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCc4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.40
ACHE P22303 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.39
YAP1 P46937 2/20 0.38
FAAH O00519 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL13596157 0.92 GPR119 (0.41) GPR119ACHEDNMT3AYAP1FAAH
SCHEMBL13597360 0.92 GPR119 (0.40) GPR119ACHEYAP1FAAH
SCHEMBL13596402 0.92 ACHE (0.46) ACHEYAP1
SCHEMBL4119099 0.91 GPR119 (0.38) GPR119ACHEDNMT3AYAP1FAAH
SCHEMBL4120919 0.90 GPR119 (0.44) GPR119ACHEYAP1FAAH
SCHEMBL4122115 0.90 ACHE (0.42) ACHEGRIN2B
SCHEMBL4113058 0.89 EPHA2 (0.41) GPR119ACHEYAP1FAAH
SCHEMBL4132649 0.87 GPR119 (0.40) GPR119ACHEFAAH
SCHEMBL4133416 0.87 CSF1R (0.43) GPR119ACHEFAAH
SCHEMBL13596555 0.87 ACHE (0.46) 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 GPR119 122/4885ACHE 3716/4885DNMT3A 1060/4885

“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.