SCHEMBL10106148

SCHEMBL10106148

Cc1nc(-n2cncn2)ccc1Nc1ncnc(OC2CC3CCC(C2)N3C(=O)OC(C)C)c1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.56
CYP2C9 P11712 3/20 0.56
KCNH2 Q12809 1/20 0.47

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
SCHEMBL10106145 0.89 GPR119 (0.53) GPR119CYP2C9
SCHEMBL13633398 0.88 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL12320705 0.86 GPR119 (0.52) GPR119CYP2C9
SCHEMBL12276767 0.85 GPR119 (0.58) GPR119CYP2C9
SCHEMBL16281385 0.85 GPR119 (0.60) GPR119CYP2C9
SCHEMBL10106134 0.83 GPR119 (0.68) GPR119CYP2C9
SCHEMBL12276841 0.81 GPR119 (0.65) GPR119CYP2C9KCNH2
SCHEMBL12319991 0.81 GPR119 (0.65) GPR119CYP2C9KCNH2
SCHEMBL12414026 0.81 GPR119 (0.49) GPR119CYP2C9KCNH2
SCHEMBL1713381 0.80 GPR119 (0.72) GPR119CYP2C9KCNH2

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 2 patents. 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
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 999/4885KCNH2 1403/4885

“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.