SCHEMBL2589080

SCHEMBL2589080

COC(=O)CCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(c5ncc(Cl)cn5)CC4)sc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
SCD O00767 2/20 0.35
GHSR Q92847 1/20 0.34
MCHR1 Q99705 1/20 0.34
P2RX3 P56373 1/20 0.34
ACACB O00763 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP1 P03956 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL2590794 0.88 GPR119 (0.39) GPR119SCDCNR1CNR2KCNH2
SCHEMBL14729056 0.87 GPR119 (0.40) GPR119SCDACACBKCNH2NPC1
SCHEMBL14729060 0.86 GPR119 (0.39) GPR119SCDGHSRACACBKCNH2
SCHEMBL14729126 0.82 GPR119 (0.41) GPR119SCDACACBNPC1MAPT
SCHEMBL2590842 0.82 GPR119 (0.58) GPR119NPC1
SCHEMBL14729183 0.81 GPR119 (0.40) GPR119SCDACACBNPC1MAPT
SCHEMBL14719113 0.81 SCD (0.39) GPR119SCDMCHR1ACACBCNR2
SCHEMBL14729182 0.80 GPR119 (0.40) GPR119SCDACACBNPC1MAPT
SCHEMBL14728910 0.80 GPR119 (0.51) GPR119NPC1
SCHEMBL2592912 0.79 GPR119 (0.44) GPR119MCHR1CNR1MAPT

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 9 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
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
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 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
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO 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 1621/4885GHSR 83/4885

“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.