SCHEMBL14729199

SCHEMBL14729199

C=C(OCC)c1cnc(N2CCC(Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14729108 0.92 GPR119 (0.47) GPR119KDM4EALDH1A1CYP2D6CYP2C9
SCHEMBL2591328 0.88 GPR119 (0.58) GPR119
SCHEMBL14729106 0.87 GPR119 (0.51) GPR119
SCHEMBL14729077 0.86 GPR119 (0.58) GPR119
SCHEMBL14729112 0.84 GPR119 (0.56) GPR119
SCHEMBL14729110 0.84 GPR119 (0.49) GPR119ALDH1A1
SCHEMBL14729109 0.82 ALDH1A1 (0.50) GPR119KDM4EALDH1A1HPGD
SCHEMBL14729088 0.81 GPR119 (0.53) GPR119KDM4E
SCHEMBL14729090 0.81 GPR119 (0.53) GPR119KDM4E
SCHEMBL14729197 0.80 GPR119 (0.41) GPR119ALDH1A1

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 1/4885KDM4E 1820/4885ALDH1A1 2991/4885

“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.