SCHEMBL4619684

SCHEMBL4619684

CCCOC(C(=O)N(C)CC1C2CN(Cc3ccccc3)CC21)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.43
MLNR O43193 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
ACHE P22303 4/20 0.41
KDM4E B2RXH2 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37

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
SCHEMBL4619277 0.88 ACHE (0.43) BCHECHRM3ACHEKDM4ES1PR1
SCHEMBL4619318 0.82 CHRM3 (0.44) BCHECHRM3ACHEKDM4ES1PR1
SCHEMBL4619946 0.82 ACHE (0.43) BCHECHRM2CHRM1CHRM3KCNH2
SCHEMBL4140154 0.81 ACHE (0.42) BCHECHRM3KCNH2ACHEKDM4E
SCHEMBL4619797 0.81 OPRM1 (0.43) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL4136674 0.79 BCHE (0.41) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4142342 0.79 ACHE (0.40) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4142659 0.78 BCHE (0.40) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4143610 0.78 HRH1 (0.43) BCHECHRM2CHRM1CHRM3HRH1
SCHEMBL4143564 0.77 CHRM3 (0.52) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 BCHE 130/4885MLNR 81/4885CHRM2 3/4885

“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.