SCHEMBL10134278

SCHEMBL10134278

CC(C)(C)Oc1ncnc(Oc2ccc(C#N)cc2F)c1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
DCK P27707 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
EGLN2 Q96KS0 3/20 0.37
TRPA1 O75762 8/20 0.36
ICMT O60725 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34

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
SCHEMBL10134275 0.88 AR (0.46) GPR119DCKSLC22A12ICMT
SCHEMBL15381346 0.85 TRPA1 (0.44) GPR119DCKSLC22A12EGLN2TRPA1
SCHEMBL10120567 0.82 GPR119 (0.48) GPR119DCKSLC22A12EGLN2TRPA1
SCHEMBL10116426 0.77 TRPA1 (0.36) GPR119TRPA1MRGPRX1
SCHEMBL10116422 0.76 GPR119 (0.50) GPR119TRPA1
SCHEMBL10105804 0.73 AR (0.50) GPR119SLC22A12ICMT
SCHEMBL15381345 0.73 AR (0.49) GPR119DCKSLC22A12ICMT
SCHEMBL10105782 0.72 GPR119 (0.50) GPR119
SCHEMBL10105799 0.71 GPR119 (0.53) GPR119
SCHEMBL10120512 0.70 AR (0.46) GPR119DCKSLC22A12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DCK 1732/4885SLC22A12 2369/4885

“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.