SCHEMBL4119917

SCHEMBL4119917

CN(C)Cc1c(OCc2ccccc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
YAP1 P46937 3/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
BCHE P06276 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
CSF1R P07333 2/20 0.40
KDR P35968 1/20 0.40
PRMT5 O14744 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4128096 0.93 ACHE (0.44) ACHEBCHEJAK2JAK1GPR119
SCHEMBL13596558 0.93 GPR119 (0.43) ACHEGPR119
SCHEMBL13596157 0.92 GPR119 (0.41) ACHEYAP1GPR119
SCHEMBL13596402 0.92 ACHE (0.46) ACHEYAP1TLR9TLR7BCHE
SCHEMBL13596556 0.92 GPR119 (0.41) ACHEGPR119
SCHEMBL4114201 0.91 ACHE (0.48) ACHEBCHE
SCHEMBL4122307 0.90 GPR119 (0.43) ACHEYAP1GPR119
SCHEMBL4122124 0.90 GPR119 (0.40) ACHEGPR119CSF1RKDRKDM4E
SCHEMBL4129872 0.89 ACHE (0.41) ACHEYAP1GPR119CSF1R
SCHEMBL4127326 0.89 EPHA2 (0.40) ACHEGPR119KDR

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 3 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
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 3716/4885YAP1 3743/4885TLR9 1433/4885

“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.