SCHEMBL4358272

SCHEMBL4358272

CCCCOC(=O)N1CCC(n2ncc3c(Oc4cccnc4C)ncnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
GPR119 Q8TDV5 14/20 0.52
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1128707 0.88 GPR119 (0.53) CYP3A4GPR119ALDH1A1HSD17B10KDM4E
SCHEMBL304496 0.87 CYP3A4 (0.51) CYP3A4GPR119ALDH1A1HSD17B10KDM4E
SCHEMBL12596449 0.86 GPR119 (0.47) GPR119CHRM2CHRM4
SCHEMBL1128538 0.85 CYP3A4 (0.53) CYP3A4GPR119
SCHEMBL1128314 0.85 GPR119 (0.54) CYP3A4GPR119CYP2C9
SCHEMBL303689 0.85 GPR119 (0.64) CYP3A4GPR119CYP2C9
SCHEMBL1128312 0.85 CYP3A4 (0.69) CYP3A4GPR119CYP2C9
SCHEMBL1128408 0.85 CYP3A4 (0.53) CYP3A4GPR119
SCHEMBL1128543 0.84 CYP3A4 (0.55) CYP3A4GPR119ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL1128332 0.84 GPR119 (0.63) CYP3A4GPR119CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885GPR119 1/4885ALDH1A1 973/4885

“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.