SCHEMBL10134692

SCHEMBL10134692

Cc1ncccc1Oc1ncnc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.50
MAP4K4 O95819 1/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL10134297 0.86 GPR119 (0.51) GPR119
SCHEMBL2403976 0.85 GPR119 (0.50) GPR119MAP4K4
SCHEMBL10116446 0.82 GPR119 (0.53) GPR119
SCHEMBL10116314 0.82 GPR119 (0.47) GPR119
SCHEMBL6545410 0.80 ADORA2A (0.50) GPR119MAP4K4ADORA2AADORA1
SCHEMBL13893026 0.75 GPR119 (0.65) GPR119
SCHEMBL16978812 0.74 MRGPRX1 (0.55)
SCHEMBL1128462 0.73 GPR119 (0.45) GPR119MAP4K4
SCHEMBL11881284 0.73 ADORA2A (0.45) GPR119MAP4K4ADORA2AADORA1
SCHEMBL12274458 0.73 GPR119 (0.62) GPR119

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 3 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
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (2 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 1/4885MAP4K4 1096/4885ADORA2A 109/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885MAP4K4 3349/4885ADORA2A 178/4885

“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.