SCHEMBL10133923

SCHEMBL10133923

COc1c(OCC23CCN(C(=O)OC4(C)CC4)CC2C3)ncnc1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.56
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE5A O76074 1/20 0.33
AR P10275 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
SCHEMBL13144511 0.92 GPR119 (0.54) GPR119CYP2C9CYP2C19AR
SCHEMBL10134298 0.91 GPR119 (0.57) GPR119CYP2C9CYP2C19AR
SCHEMBL10133919 0.91 GPR119 (0.65) GPR119CYP2C9CYP2C19
SCHEMBL10133915 0.90 GPR119 (0.47) GPR119
SCHEMBL10133922 0.90 GPR119 (0.57) GPR119CYP2C9CYP2C19
SCHEMBL10116669 0.87 GPR119 (0.41) GPR119CYP2C9CYP2C19
SCHEMBL10134308 0.87 GPR119 (0.68) GPR119
SCHEMBL10134294 0.82 GPR119 (0.48) GPR119
SCHEMBL10134296 0.81 GPR119 (0.48) GPR119
SCHEMBL10133916 0.81 GPR119 (0.55) GPR119CYP2C9

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 3097/4885CYP2C19 1755/4885

“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.