SCHEMBL10120512

SCHEMBL10120512

CC(C)Oc1ncnc(Oc2ccc(C#N)cc2Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
GPR119 Q8TDV5 5/20 0.42
EIF4E P06730 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MET P08581 1/20 0.39
GRM5 P41594 3/20 0.39
NR3C1 P04150 2/20 0.38
FFAR1 O14842 1/20 0.38
KMO O15229 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
DCK P27707 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL10120567 0.88 GPR119 (0.48) GPR119EIF4EMKNK1MKNK2KCNH2
SCHEMBL10134325 0.86 AR (0.50) ARGPR119EIF4EMKNK1MKNK2
SCHEMBL15381345 0.86 AR (0.49) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10120665 0.84 AR (0.45) ARGPR119EIF4EMKNK1MKNK2
SCHEMBL10134275 0.83 AR (0.46) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10105771 0.81 GPR119 (0.43) GPR119SLC22A12
SCHEMBL10120666 0.79 GPR119 (0.59) GPR119EIF4EMKNK1MKNK2
SCHEMBL16175139 0.78 AR (0.46) ARSLC6A4SLC6A3KCNH2SLC22A12
SCHEMBL10105805 0.78 KMO (0.37) KMOEGFR
SCHEMBL1963697 0.77 AR (0.54) AREIF4EMKNK1MKNK2SLC6A4

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 1/4885EIF4E 3412/4885

“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.