SCHEMBL14729028

SCHEMBL14729028

CC(C)(O)CCCS(=O)(=O)N1CCN(c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.38
SCD O00767 1/20 0.37
ADAMTS4 O75173 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
KCNH2 Q12809 1/20 0.34
HCRTR2 O43614 1/20 0.34
NR1H2 P55055 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14729027 0.95 GPR119 (0.39) GPR119SCDADAMTS4MMP1MMP13
SCHEMBL14729161 0.93 GPR119 (0.40) GPR119SCDNPC1MAPTMAPK1
SCHEMBL14728974 0.93 GPR119 (0.41) GPR119KCNH2NPC1MAPTMAPK1
SCHEMBL14729058 0.92 GPR119 (0.42) GPR119NPC1MAPTMAPK1
SCHEMBL14728994 0.91 GPR119 (0.48) GPR119NPC1
SCHEMBL14729033 0.90 GPR119 (0.39) GPR119SCDHCRTR2NR1H2NPC1
SCHEMBL14729031 0.89 GPR119 (0.38) GPR119SCDHCRTR2NR1H2NPC1
SCHEMBL14729159 0.89 GPR119 (0.39) GPR119SCDNR1H2NPC1MAPT
SCHEMBL14728967 0.88 GPR119 (0.40) GPR119SCDKCNH2NPC1MAPT
SCHEMBL14728997 0.87 GPR119 (0.49) GPR119NPC1

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 1/4885SCD 1621/4885ADAMTS4 4772/4885

“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.