SCHEMBL14870764

SCHEMBL14870764

CS(=O)(=O)c1ccc(-c2c[nH]c3c(OC4C5COCC4CN(c4ncc(Cl)cn4)C5)ncnc23)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.41
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DPP4 P27487 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CYP2C9 P11712 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
SCHEMBL14870765 0.89 GPR119 (0.40) GPR119CYP3A4CYP2C19DPP4ATR
SCHEMBL14866136 0.88 GPR119 (0.42) GPR119
SCHEMBL14870619 0.85 GPR119 (0.54) GPR119KCNH2CYP3A4CYP2C19CYP2C9
SCHEMBL14870894 0.85 GPR119 (0.40) GPR119CYP3A4CYP2C19DPP4ATR
SCHEMBL14870625 0.83 GPR119 (0.54) GPR119CYP2C9
SCHEMBL14866186 0.83 GPR119 (0.40) GPR119
SCHEMBL14870827 0.82 GPR119 (0.54) GPR119
SCHEMBL10107929 0.80 GPR119 (0.50) GPR119KCNH2NR1H2NR1H3CYP2C9
SCHEMBL14870744 0.79 GPR119 (0.55) GPR119CYP3A4CYP2C19CYP2C9
SCHEMBL12170494 0.78 GPR119 (0.47) GPR119KCNH2NR1H2NR1H3CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2013-04-18 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-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR139 GPR119 1/4885KCNH2 1220/4885CYP3A4 2151/4885

“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.