SCHEMBL14729066

SCHEMBL14729066

O=S(=O)(CCCCO)N1CCC(c2ccc3nc(OC4CCN(c5ccc(C(F)(F)F)cn5)CC4)sc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
CXCR3 P49682 8/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
DGAT1 O75907 3/20 0.36
ADORA2A P29274 2/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
MMP13 P45452 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
SCHEMBL14729187 0.94 GPR119 (0.35) GPR119CXCR3HRH3DGAT1ADORA2A
SCHEMBL14729071 0.91 GPR119 (0.39) GPR119CXCR3HRH3KDM4EABL1
SCHEMBL14729067 0.89 GPR119 (0.45) GPR119CXCR3HRH3KDM4EABL1
SCHEMBL14729191 0.87 GPR119 (0.35) GPR119CXCR3HRH3DGAT1ADORA2A
SCHEMBL14729069 0.84 GPR119 (0.52) GPR119CXCR3HRH3KDM4EABL1
SCHEMBL14729186 0.84 GPR119 (0.40) GPR119CXCR3HRH3DGAT1
SCHEMBL14729126 0.81 GPR119 (0.41) GPR119
SCHEMBL2590794 0.81 GPR119 (0.39) GPR119KCNH2
SCHEMBL14729174 0.79 GPR119 (0.43) GPR119HRH3
SCHEMBL14729188 0.79 GPR119 (0.47) GPR119HRH3DGAT1ADORA2AKCNH2

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 5 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-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 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.