SCHEMBL10116290

SCHEMBL10116290

Cc1c(Oc2ccc(-n3cncn3)cc2F)ncnc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.52
TRPA1 O75762 3/20 0.36
GRM2 Q14416 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 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
SCHEMBL12271533 0.87 GPR119 (0.52) GPR119TRPA1GRM2CYP2C9CYP1A2
SCHEMBL10116289 0.87 GPR119 (0.40) GPR119GRM2CYP2C9CYP1A2CYP2D6
SCHEMBL10116316 0.77 GPR119 (0.43) GPR119CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL12271277 0.73 S1PR1 (0.45) GPR119GRM2CYP2C9CYP1A2CYP2D6
SCHEMBL10116293 0.73 TRPA1 (0.39) GPR119TRPA1CYP2C9
SCHEMBL12276341 0.73 GPR119 (0.50) GPR119TRPA1CYP2C9
SCHEMBL10116292 0.72 GPR119 (0.55) GPR119TRPA1CYP2C9
SCHEMBL11993142 0.71 KDM4E (0.42) GPR119CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL10105723 0.70 GPR119 (0.38) GPR119GRM2CYP2C9CYP1A2CYP2D6
SCHEMBL12271284 0.70 GPR119 (0.47) GPR119CYP2C9CYP1A2CYP2D6CYP2C19

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 1/4885TRPA1 84/4885GRM2 116/4885

“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.