SCHEMBL14728968

SCHEMBL14728968

O=S(=O)(CCCO)N1CCN(c2ccc3nc(OC4CCN(c5ncc(Cl)cn5)CC4)sc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.42
KCNH2 Q12809 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SCD O00767 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14728976 0.98 GPR119 (0.41) GPR119KCNH2NPC1RAB9ASCD
SCHEMBL14729033 0.92 GPR119 (0.39) GPR119NPC1SCDMAPTMAPK1
SCHEMBL14729156 0.92 GPR119 (0.42) GPR119NPC1SCDMAPTMAPK1
SCHEMBL14729039 0.91 GPR119 (0.43) GPR119KCNH2NPC1RAB9A
SCHEMBL14728974 0.90 GPR119 (0.41) GPR119KCNH2NPC1RAB9AMAPT
SCHEMBL14728995 0.90 GPR119 (0.51) GPR119NPC1RAB9A
SCHEMBL14729031 0.90 GPR119 (0.38) GPR119NPC1SCDMAPTMAPK1
SCHEMBL14729158 0.90 GPR119 (0.42) GPR119NPC1SCDMAPTMAPK1
SCHEMBL14728967 0.88 GPR119 (0.40) GPR119KCNH2NPC1RAB9ASCD
SCHEMBL14729037 0.88 GPR119 (0.43) GPR119KCNH2NPC1RAB9A

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 1/4885KCNH2 1122/4885NPC1 967/4885

“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.