SCHEMBL10106310

SCHEMBL10106310

O=C1CC2COC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
CHRM3 P20309 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL15421246 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5L3MBTL1KMT2A
SCHEMBL853058 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5L3MBTL1KMT2A
SCHEMBL21548123 0.90 CHRM2 (0.43) CHRM2CHRM4CHRM5L3MBTL1KMT2A
SCHEMBL6153627 0.88 CHRM2 (0.56) CHRM2CHRM4CHRM5L3MBTL1KMT2A
SCHEMBL636999 0.86 CHRM2 (0.58) CHRM2CHRM4CHRM5L3MBTL1KMT2A
SCHEMBL29691892 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5L3MBTL1ALDH1A1
SCHEMBL707808 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5L3MBTL1ALDH1A1
SCHEMBL719296 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5L3MBTL1ALDH1A1
SCHEMBL19364501 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5L3MBTL1ALDH1A1
SCHEMBL16766368 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5L3MBTL1ALDH1A1

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 7 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-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
EP-2217596-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
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
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 CHRM2 2244/4885CHRM4 1503/4885CHRM5 1874/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 CHRM2 1266/4885CHRM4 1113/4885CHRM5 1547/4885

“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.