SCHEMBL10105723

SCHEMBL10105723

Cc1c(Cc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
GRM2 Q14416 1/20 0.34
LRRK2 Q5S007 1/20 0.33
S1PR1 P21453 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 2/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL12271533 0.81 GPR119 (0.52) GPR119CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL10105714 0.80 TRPA1 (0.38) HTR2CDHODH
SCHEMBL10105709 0.80 S1PR1 (0.32) CYP2C9CYP1A2CYP2C19CYP2D6GRM2
SCHEMBL12271284 0.78 GPR119 (0.47) GPR119CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL10105727 0.75 AAK1 (0.32) DHODH
SCHEMBL10105711 0.75 DHODH (0.45) HTR2CDHODH
SCHEMBL10105721 0.74 GPR119 (0.41) GPR119CYP2C9
SCHEMBL12271277 0.72 S1PR1 (0.45) GPR119CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL14531066 0.71 CYP2C9 (0.47) GPR119CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL10116290 0.70 GPR119 (0.52) GPR119CYP2C9CYP1A2CYP2C19CYP2D6

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 GPR119 1/4885CYP2C9 999/4885CYP1A2 1022/4885

“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.