SCHEMBL14729196

SCHEMBL14729196

C=C(OCCOC)N1CCC(Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
LIPG Q9Y5X9 7/20 0.40
LIPC P11150 3/20 0.40
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP3 P08254 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP13 P45452 4/20 0.38
ALDH1A1 P00352 1/20 0.37
MMP7 P09237 3/20 0.37
CLK1 P49759 1/20 0.36
JAK3 P52333 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
SCHEMBL14729198 0.93 GPR119 (0.40) GPR119LIPGLIPCALDH1A1CLK1
SCHEMBL14729096 0.92 GPR119 (0.49) GPR119LIPGLIPCMMP1MMP2
SCHEMBL14729197 0.90 GPR119 (0.41) GPR119LIPGLIPCALDH1A1CLK1
SCHEMBL14729195 0.86 GPR119 (0.41) GPR119ALDH1A1CLK1JAK3
SCHEMBL14729201 0.85 CLK1 (0.41) GPR119ALDH1A1CLK1JAK3
SCHEMBL14729093 0.85 GPR119 (0.47) GPR119LIPGLIPCALDH1A1CLK1
SCHEMBL14729095 0.84 GPR119 (0.48) GPR119ALDH1A1CLK1
SCHEMBL14729100 0.84 IKBKB (0.44) GPR119LIPCALDH1A1CLK1JAK3
SCHEMBL2591259 0.84 GPR119 (0.43) GPR119ALDH1A1CLK1JAK3
SCHEMBL14729097 0.82 MAPT (0.45) GPR119ALDH1A1CLK1JAK3

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 2 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-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 1/4885LIPG 1497/4885LIPC 1982/4885

“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.