SCHEMBL10116288

SCHEMBL10116288

Cc1ccc(Oc2ncnc(C(C)C)c2C)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
S1PR4 O95977 1/20 0.35
TGFBR1 P36897 4/20 0.34
MRGPRX1 Q96LB2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GRM2 Q14416 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12271331 0.82 GPR119 (0.53) GPR119S1PR4TGFBR1
SCHEMBL12320349 0.80 GPR119 (0.47) GPR119S1PR4TGFBR1MEN1KMT2A
SCHEMBL10116314 0.79 GPR119 (0.47) GPR119
SCHEMBL12319885 0.78 GPR119 (0.46) GPR119S1PR4TGFBR1MEN1KMT2A
SCHEMBL23341813 0.71 PDPK1 (0.36) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL10116293 0.69 TRPA1 (0.39) GPR119MRGPRX1
SCHEMBL10116291 0.69 LMNA (0.37) MEN1KMT2A
SCHEMBL10116310 0.69 GPR119 (0.34) GPR119
SCHEMBL10116299 0.68 PTGS2 (0.44) GPR119
SCHEMBL10116292 0.68 GPR119 (0.55) 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 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 1/4885S1PR4 266/4885TGFBR1 1173/4885

“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.