SCHEMBL4136391

SCHEMBL4136391

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)cc(OCc4ccccc4)c(C#N)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ACHE P22303 2/20 0.39
CSF1R P07333 2/20 0.39
PRMT5 O14744 2/20 0.38
GPR119 Q8TDV5 4/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 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
SCHEMBL4124713 0.91 ACHE (0.40) ACHE
SCHEMBL4136388 0.84 GPR119 (0.44) YAP1GPR119
SCHEMBL4136385 0.82 GPR119 (0.40) KDM4EPKMGPR119
SCHEMBL13596402 0.80 ACHE (0.46) YAP1KDM4EPKMACHECSF1R
SCHEMBL4122125 0.79 ACHE (0.42) ACHE
SCHEMBL4122438 0.79 ACHE (0.42) YAP1ACHECSF1RGPR119KDR
Dimethylamine SCHEMBL4119922 0.77 ACHE (0.46) YAP1KDM4EPKMACHECSF1R
Dimethylamine SCHEMBL4129875 0.77 PDCD1 (0.42) YAP1ACHECSF1RGPR119KDR
SCHEMBL4120919 0.77 GPR119 (0.44) YAP1ACHEGPR119
SCHEMBL4121012 0.75 GPR119 (0.39) KDM4EPKMACHECSF1RGPR119

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 YAP1 3743/4885KDM4E 3136/4885PKM 2715/4885

“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.