SCHEMBL14728962

SCHEMBL14728962

CC(C)(O)CCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GPR119 Q8TDV5 4/20 0.37
TRPC3 Q13507 2/20 0.37
TRPC7 Q9HCX4 2/20 0.37
CYP2C19 P33261 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
HTT P42858 1/20 0.37
ENPP2 Q13822 1/20 0.36

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
SCHEMBL14729019 0.88 ACACB (0.36) PDE4BBCL9CTNNB1SMN1; SMN2GPR119
SCHEMBL14729154 0.85 TLR9 (0.38) PDE4BGRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL14728958 0.84 FAAH (0.38) PDE4BSMN1; SMN2GPR119
SCHEMBL14729021 0.83 GPR119 (0.36) PDE4BBCL9CTNNB1GPR119CYP2C19
SCHEMBL14729183 0.81 GPR119 (0.40) NPC1GPR119
SCHEMBL14728944 0.80 GPR119 (0.50) NPC1RAB9AGPR119
SCHEMBL14729056 0.79 GPR119 (0.40) NPC1GPR119
SCHEMBL14729182 0.77 GPR119 (0.40) NPC1GPR119
SCHEMBL14729022 0.76 GPR119 (0.36) PDE4BNPC1RAB9AGPR119CYP2C19
SCHEMBL14729009 0.76 ACACB (0.36) GPR119CYP2C19

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 PDE4B 556/4885BCL9 1770/4885CTNNB1 2474/4885

“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.