SCHEMBL13596406

SCHEMBL13596406

CCCOc1ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc2c1CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.42
CSF1R P07333 1/20 0.41
KDR P35968 1/20 0.41
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL13596405 0.92 GPR119 (0.43) GPR119CSF1RKDRFAAHACHE
SCHEMBL4133416 0.91 CSF1R (0.43) GPR119CSF1RKDRFAAHACHE
SCHEMBL13596555 0.90 ACHE (0.46) GPR119CSF1RKDRACHEKDM4E
SCHEMBL4130208 0.90 ACHE (0.42) ACHEPPARGPPARDPPARA
SCHEMBL4132649 0.89 GPR119 (0.40) GPR119CSF1RKDRFAAHACHE
SCHEMBL13597442 0.88 GPR119 (0.40) GPR119CSF1RKDRFAAHACHE
SCHEMBL13596402 0.88 ACHE (0.46) CSF1RKDRACHEKDM4EPKM
SCHEMBL4112447 0.87 GPR119 (0.39) GPR119CSF1RKDRFAAHACHE
SCHEMBL4120815 0.86 PDE4B (0.43) GPR119FAAHACHEPDE4APDE4B
SCHEMBL4121981 0.86 GPR119 (0.40) GPR119FAAHACHE

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.