SCHEMBL2330201

SCHEMBL2330201

OC1CCC(c2ncccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.40
BCHE P06276 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HDAC4 P56524 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
GRM2 Q14416 1/20 0.31
SMO Q99835 1/20 0.31
HCRTR2 O43614 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL28044025 1.00 ESR2 (0.40) ESR2BCHEOPRM1OPRL1HDAC4
SCHEMBL935722 0.87
Hydrochloric Acid SCHEMBL29162507 0.85 OPRL1 (0.36) OPRM1OPRL1HDAC4PDE10ACHRM2
Fluoromethane SCHEMBL28832696 0.80 PDE10A (0.34) BCHEOPRM1OPRL1HDAC4PDE10A
SCHEMBL31085466 0.78 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL14064112 0.77 ESR2 (0.47) ESR2HDAC4MAPK8MAPK10CDK7
SCHEMBL1444138 0.77 KDM4E (0.38) OPRM1OPRL1GRM2
SCHEMBL676894 0.77 KDM4E (0.43) OPRM1OPRL1
SCHEMBL18509357 0.76 ESR2 (0.39) ESR2BCHEOPRM1OPRL1PDE10A
SCHEMBL26627786 0.76 ESR1 (0.46) ESR2OPRL1PDE10ACHRM3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
US-4906402-A Liquid crystal material IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1990-03-06 US disclosed
EP-0259995-A1 Liquid crystal material IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR2 497/4885BCHE 3989/4885OPRM1 580/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR2 497/4885BCHE 3989/4885OPRM1 580/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ESR2 481/4885BCHE 3916/4885OPRM1 580/4885

“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.