SCHEMBL744743

SCHEMBL744743

CC(=O)N1CC2CCC1CN2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HSD11B1 P28845 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
GRM2 Q14416 1/20 0.41
PREP P48147 3/20 0.40
HDAC1 Q13547 1/20 0.39
CCR2 P41597 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL744742 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL744744 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL1197096 0.89 HSD11B1 (0.51) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL14258930 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL4891817 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL24700743 0.84 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL24716574 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL4891828 0.79 HSD11B1 (0.43) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL71964 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL71966 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (1 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CHRM2 2977/4885CHRM1 3222/4885CHRM3 1763/4885

“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.