SCHEMBL13596239

SCHEMBL13596239

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(COC4CCCCO4)c(CC(=O)Nc4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR119 Q8TDV5 7/20 0.36
CETP P11597 2/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
BRD3 Q15059 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL4127000 0.92 ACHE (0.35) ALDH1A1
SCHEMBL4130392 0.89 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4134365 0.88 KDM4E (0.40) LMNAGPR119MAPT
SCHEMBL4113442 0.88 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4129895 0.87 GPR119 (0.41) GPR119
SCHEMBL13596245 0.86 GPR119 (0.41) GPR119
SCHEMBL4126733 0.85 GPR119 (0.40) GPR119
Dimethylamine SCHEMBL4113447 0.85 CETP (0.41) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4122961 0.85 TP53 (0.46) LMNA
SCHEMBL13596238 0.84 GPR119 (0.39) GPR119

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
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 LMNA 3162/4885ALDH1A1 858/4885CYP3A4 157/4885

“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.