SCHEMBL10106327

SCHEMBL10106327

Cc1c(Cl)ncnc1O[C@H]1CC2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.67
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL10120525 1.00 GPR119 (0.67) GPR119CHRM2CHRM1CHRM3
SCHEMBL10106428 1.00 GPR119 (0.67) GPR119CHRM2CHRM1CHRM3
SCHEMBL10106437 1.00 GPR119 (0.67) GPR119CHRM2CHRM1CHRM3
SCHEMBL10106381 0.96 GPR119 (0.62) GPR119CHRM2CHRM1CHRM3
SCHEMBL12236503 0.93 GPR119 (0.76) GPR119CHRM2CHRM1CHRM3
SCHEMBL12275991 0.87 GPR119 (0.53) GPR119CHRM2CHRM1CHRM3
SCHEMBL12276652 0.87 GPR119 (0.53) GPR119CHRM2CHRM1CHRM3
SCHEMBL12320310 0.87 GPR119 (0.58) GPR119CHRM2CHRM1CHRM3
SCHEMBL12276897 0.87 GPR119 (0.58) GPR119CHRM2CHRM1CHRM3
SCHEMBL12236482 0.86 GPR119 (0.67) GPR119CHRM2CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (2 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 1/4885CHRM2 2244/4885CHRM1 2211/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885CHRM2 1266/4885CHRM1 1892/4885

“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.