SCHEMBL10120665

SCHEMBL10120665

COc1c(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
GPR119 Q8TDV5 2/20 0.40
NR3C1 P04150 2/20 0.39
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE5A O76074 4/20 0.39
ESRRA P11474 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
GAK O14976 1/20 0.35
RIPK2 O43353 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
SCHEMBL10120505 0.89 AR (0.50) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10134325 0.85 AR (0.50) ARGPR119NR3C1EIF4EMKNK1
SCHEMBL10120512 0.84 AR (0.46) ARGPR119NR3C1EIF4EMKNK1
SCHEMBL10134273 0.80 AR (0.42) ARGPR119NR3C1SLC6A4SLC6A3
SCHEMBL10120508 0.80 GPR119 (0.51) GPR119EIF4EMKNK1MKNK2LRRK2
SCHEMBL10134292 0.79 AR (0.53) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10105810 0.79 KMO (0.34) LRRK2EGFR
SCHEMBL6919127 0.78 AR (0.45) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL21611616 0.78 AR (0.49) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL15381345 0.78 AR (0.49) ARGPR119NR3C1SLC6A4SLC6A3

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R AR 263/4885GPR119 1/4885NR3C1 252/4885

“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.