SCHEMBL10116775

SCHEMBL10116775

[C-]#[N+]c1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)(C)C)CC34CC4)c2C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.42
PIK3CD O00329 5/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10116781 0.89 GPR119 (0.49) GPR119CYP2C9
SCHEMBL10116788 0.87 GPR119 (0.50) GPR119CYP2C9
SCHEMBL10116595 0.86 GPR119 (0.55) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10116785 0.81 GPR119 (0.42) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10116593 0.80 GPR119 (0.61) GPR119
SCHEMBL10134616 0.80 GPR119 (0.47) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10116801 0.78 GPR119 (0.52) GPR119CYP2C9
SCHEMBL12277317 0.77 GPR119 (0.60) GPR119
SCHEMBL12277144 0.77 GPR119 (0.51) GPR119
SCHEMBL10116796 0.76 GPR119 (0.49) 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 1/4885PIK3CD 660/4885PIK3CA 1134/4885

“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.