SCHEMBL10120550

SCHEMBL10120550

OC1CC2COC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
ALDH1A1 P00352 3/20 0.45
FUCA1 P04066 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A4 P31645 1/20 0.43
CCR1 P32246 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL15421001 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL18508557 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL22777402 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL10106309 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL14213128 1.00 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL636999 0.86 CHRM2 (0.58) CHRM2CHRM4CHRM5ALDH1A1FUCA1
SCHEMBL694189 0.84 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL13993541 0.84 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL16766586 0.84 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL16766562 0.84 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KMT2A

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 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.