SCHEMBL3608442

SCHEMBL3608442

NC1C2CN(CC(O)(c3ccccc3)c3ccccc3)CC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM3 P20309 11/20 0.41
CHRM2 P08172 9/20 0.41
CHRM1 P11229 9/20 0.41
CHRM4 P08173 9/20 0.41
CHRM5 P08912 8/20 0.41
CYP2D6 P10635 3/20 0.41
HTR1A P08908 2/20 0.41
OPRM1 P35372 2/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL3614513 0.79 CHRM2 (0.57) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL3615855 0.78 CYP2D6 (0.38) CYP2D6MAPK1
SCHEMBL5245200 0.78 OPRM1 (0.38) OPRM1KIF11
SCHEMBL6079704 0.78 CHRM2 (0.48) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL6079661 0.78 CHRM2 (0.48) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL6079656 0.78 CHRM2 (0.48) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL8570755 0.73 CHRM2 (0.66) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL13545707 0.71 KCNA3 (0.47) KMT2ADRD2
SCHEMBL2765256 0.69 FUCA1 (0.56) CYP2D6SIGMAR1
SCHEMBL2764614 0.69 FUCA1 (0.56) CYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US claimed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP claimed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 WO claimed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 WO 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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 MEN1 2033/4885KMT2A 1611/4885CHRM3 1/4885

“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.