SCHEMBL744650

SCHEMBL744650

CC(=O)N1[C@@H]2CC[C@H]1CC(N)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
KDM1A O60341 5/20 0.35
MAP3K12 Q12852 1/20 0.33
GRM5 P41594 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
TLR4 O00206 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL13051086 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CHRM2CHRM1CHRM3MMP2
SCHEMBL13051085 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CHRM2CHRM1CHRM3MMP2
SCHEMBL22801499 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CHRM2CHRM1CHRM3MMP2
SCHEMBL14110948 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CHRM2CHRM1CHRM3GRM5
SCHEMBL23245840 0.79 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3MAP3K12
SCHEMBL21777884 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3KDM1A
SCHEMBL3875618 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3KDM1A
SCHEMBL23245486 0.79 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3MAP3K12
SCHEMBL21777886 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3KDM1A
SCHEMBL15810876 0.79 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3MAP3K12

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 SMN1; SMN2 4691/4885CHRM2 2977/4885CHRM1 3222/4885

“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.