SCHEMBL13596555

SCHEMBL13596555

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCCc4ccccc4)ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
CSF1R P07333 2/20 0.44
KDR P35968 1/20 0.44
BCHE P06276 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
P2RX7 Q99572 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 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
SCHEMBL13596402 0.93 ACHE (0.46) ACHECSF1RKDRBCHEKDM4E
SCHEMBL4128096 0.92 ACHE (0.44) ACHECSF1RKDRBCHEKDM4E
SCHEMBL13596406 0.90 GPR119 (0.42) ACHECSF1RKDRKDM4EPKM
SCHEMBL4133416 0.88 CSF1R (0.43) ACHECSF1RKDRGPR119
SCHEMBL4121981 0.87 GPR119 (0.40) ACHEGPR119
SCHEMBL4132649 0.86 GPR119 (0.40) ACHECSF1RKDRKDM4EPKM
SCHEMBL4125322 0.86 ACHE (0.45) ACHEBCHEKDM4EPKMGPR119
SCHEMBL4125892 0.86 GPR119 (0.41) ACHECSF1RKDRKDM4EPKM
SCHEMBL13597442 0.85 GPR119 (0.40) ACHECSF1RKDRKDM4EPKM
SCHEMBL4120792 0.85 KDM4E (0.44) ACHECSF1RKDRBCHEKDM4E

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 ACHE 3716/4885CSF1R 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.