SCHEMBL14729191

SCHEMBL14729191

CC(C)(O)CCCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(c5ccc(C(C)(F)F)cn5)CC4)sc3c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.35
CXCR3 P49682 7/20 0.34
HRH3 Q9Y5N1 3/20 0.34
DGAT1 O75907 3/20 0.34
RET P07949 1/20 0.33
ADORA2A P29274 2/20 0.32
KCNH2 Q12809 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL14729071 0.96 GPR119 (0.39) GPR119CXCR3HRH3DGAT1RET
SCHEMBL14729187 0.92 GPR119 (0.35) GPR119CXCR3HRH3DGAT1ADORA2A
SCHEMBL14729066 0.87 GPR119 (0.39) GPR119CXCR3HRH3DGAT1ADORA2A
SCHEMBL14729182 0.86 GPR119 (0.40) GPR119
SCHEMBL14729190 0.85 GPR119 (0.39) GPR119CXCR3HRH3DGAT1SCN9A
SCHEMBL14729060 0.84 GPR119 (0.39) GPR119KCNH2
SCHEMBL14729186 0.82 GPR119 (0.40) GPR119CXCR3HRH3DGAT1
SCHEMBL14729175 0.82 GPR119 (0.42) GPR119HRH3
SCHEMBL14729183 0.81 GPR119 (0.40) GPR119
SCHEMBL14729070 0.81 GPR119 (0.44) GPR119CXCR3HRH3SCN9A

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-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 GPR119 1/4885CXCR3 616/4885HRH3 522/4885

“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.