SCHEMBL10134273

SCHEMBL10134273

CCC(C)(C)Oc1ncnc(Oc2ccc(C#N)cc2Cl)c1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
PDE5A O76074 6/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
ESRRA P11474 1/20 0.36
NR3C1 P04150 2/20 0.35
FFAR1 O14842 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
ICMT O60725 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL10120505 0.85 AR (0.50) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL10134276 0.81 GPR119 (0.50) GPR119
SCHEMBL10120665 0.80 AR (0.45) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL10134292 0.75 AR (0.53) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL6919127 0.75 AR (0.45) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL10105804 0.75 AR (0.50) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL21611616 0.74 AR (0.49) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL15381345 0.74 AR (0.49) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL10134275 0.74 AR (0.46) ARSLC6A4SLC6A3KCNH2GPR119
SCHEMBL10120565 0.73 AR (0.51) ARSLC6A4SLC6A3KCNH2GPR119

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 AR 354/4885SLC6A4 1689/4885SLC6A3 2076/4885

“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.