SCHEMBL10134679

SCHEMBL10134679

COc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OCC12CCN(C(=O)OC(C)C)CC1C2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.58
CYP2C9 P11712 6/20 0.48
KCNH2 Q12809 2/20 0.48
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10134682 0.92 GPR119 (0.60) GPR119CYP2C9KCNH2CYP3A4
SCHEMBL10134680 0.92 GPR119 (0.67) GPR119CYP2C9KCNH2
SCHEMBL10134348 0.91 GPR119 (0.62) GPR119CYP2C9CYP3A4
SCHEMBL10116621 0.89 GPR119 (0.44) GPR119CYP2C9KCNH2
SCHEMBL10134331 0.87 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL10116612 0.86 GPR119 (0.57) GPR119CYP2C9CYP3A4
SCHEMBL10134360 0.83 GPR119 (0.55) GPR119CYP2C9CYP3A4
SCHEMBL13144343 0.83 GPR119 (0.56) GPR119CYP2C9CYP3A4
SCHEMBL15381383 0.82 CYP3A4 (0.55) GPR119CYP2C9CYP3A4
SCHEMBL10134681 0.82 GPR119 (0.61) GPR119CYP2C9CYP3A4

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-8580807-B2 Bicyclic piperidine and piperazine derivatives as GPCR modulators for the treatment of obesity, diabetes and other metabolic disorders MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS MERCK SHARP & DOHME LLC 2012-01-26 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-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 GPR119 1/4885CYP2C9 3097/4885KCNH2 1552/4885

“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.