SCHEMBL10120565

SCHEMBL10120565

CCOc1ncnc(Oc2ccc(C#N)cc2Cl)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
GPR119 Q8TDV5 3/20 0.47
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE5A O76074 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
ICMT O60725 1/20 0.40
FFAR1 O14842 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
S1PR1 P21453 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL10134292 0.87 AR (0.53) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL10134077 0.85 AR (0.55) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL10105804 0.84 AR (0.50) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL10134325 0.84 AR (0.50) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL12320203 0.83 AR (0.52) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL435768 0.79 TRPV4 (0.56) ARSLC6A4KCNH2SLC6A3PDE5A
SCHEMBL4170196 0.77 AR (0.58) ARSLC6A4KCNH2SLC6A3PDE5A
SCHEMBL10120505 0.76 AR (0.50) ARGPR119SLC6A4KCNH2SLC6A3
SCHEMBL4179847 0.76 AR (0.68) ARSLC6A4KCNH2SLC6A3PDE5A
SCHEMBL15381345 0.75 AR (0.49) ARGPR119SLC6A4KCNH2SLC6A3

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 1/4885SLC6A4 1736/4885

“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.