SCHEMBL4122438

SCHEMBL4122438

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCc4cccc(C#N)c4)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MGLL Q99685 1/20 0.38
CETP P11597 2/20 0.38
YAP1 P46937 3/20 0.38
NOTCH1 P46531 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
CSF1R P07333 2/20 0.36
FAAH O00519 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4129872 0.93 ACHE (0.41) ACHEPDCD1CD274MGLLCETP
SCHEMBL4120919 0.91 GPR119 (0.44) ACHECETPYAP1IRAK4GPR119
SCHEMBL4133717 0.91 ACHE (0.47) ACHEPDCD1CD274MGLL
Dimethylamine SCHEMBL4129875 0.90 PDCD1 (0.42) ACHEPDCD1CD274MGLLCETP
SCHEMBL13596402 0.89 ACHE (0.46) ACHEYAP1CSF1RKDR
SCHEMBL4127679 0.86 GPR119 (0.39) ACHECETPIRAK4GPR119FAAH
SCHEMBL4113027 0.86 GPR119 (0.38) ACHECETPGPR119CSF1RFAAH
SCHEMBL4121012 0.86 GPR119 (0.39) ACHEGPR119CSF1RFAAHKDR
SCHEMBL4113058 0.85 EPHA2 (0.41) ACHEYAP1GPR119CSF1RFAAH
SCHEMBL4121129 0.85 CETP (0.41) ACHEMGLLCETPNOTCH1GPR119

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 ACHE 3716/4885PDCD1 4671/4885CD274 4381/4885

“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.