SCHEMBL13596377

SCHEMBL13596377

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(C=O)c(Oc4ccc(C#N)cc4)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
CSF1R P07333 2/20 0.40
KDR P35968 1/20 0.39
CETP P11597 2/20 0.39
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.37
ALK Q9UM73 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
SCHEMBL4121939 0.93 GPR119 (0.44) GPR119CSF1RKDRCETPACHE
SCHEMBL4121931 0.93 GPR119 (0.44) GPR119CSF1RKDRCETPACHE
SCHEMBL4126112 0.93 GPR119 (0.44) GPR119CSF1RKDRCETPACHE
SCHEMBL4131099 0.90 ACHE (0.42) ACHE
SCHEMBL4121886 0.88 GPR119 (0.45) GPR119CSF1RKDRCETPACHE
Dimethylamine SCHEMBL4121892 0.88 GPR119 (0.45) GPR119CSF1RKDRCETPACHE
SCHEMBL13597383 0.86 ACHE (0.42) ACHE
SCHEMBL13596546 0.82 GPR119 (0.41) GPR119CSF1RKDRACHEFAAH
SCHEMBL4114948 0.80 GPR119 (0.47) GPR119CSF1RCETPACHEFAAH
SCHEMBL4120919 0.80 GPR119 (0.44) GPR119CETPACHEFAAH

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 1 patent. 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

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 122/4885CSF1R 628/4885KDR 3127/4885

“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.