SCHEMBL12017201

SCHEMBL12017201

CC(C)OC(=O)N1C2C=CC1CC(C(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.32
BCHE P06276 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL16281294 0.89 GPR119 (0.42) GPR119SMN1; SMN2P2RX4BCHETSHR
SCHEMBL12988801 0.76 CHRM2 (0.42) GPR119
SCHEMBL11993154 0.75 TSHR (0.31) GPR119TSHR
SCHEMBL11993156 0.72 GPR119 (0.32) GPR119P2RX4
SCHEMBL12271427 0.69
SCHEMBL13243110 0.69
SCHEMBL12199133 0.69 GPR119 (0.43) GPR119
SCHEMBL12320731 0.68 TSHR (0.41) TSHR
SCHEMBL4028667 0.68 PIK3CD (0.32) GPR119TSHR
SCHEMBL16281285 0.68 TSHR (0.31) GPR119TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301929-B2 Substituted biaryl derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2016-04-05 US disclosed
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-20120220614-A1 SUBSTITUTED BIARYL DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-08-30 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-20120220614-A1 SUBSTITUTED BIARYL DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR88, GCGR GPR119 1/4885SMN1; SMN2 3607/4885P2RX4 983/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885SMN1; SMN2 4300/4885P2RX4 455/4885

“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.