SCHEMBL4620925

SCHEMBL4620925

CC(c1ccccc1)N1CC2C(COC(=O)C(O)(c3ccccc3)C3CCCCC3)C2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KCNH2 Q12809 3/20 0.51
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL4146270 0.80 ALDH1A1 (0.57) POLBKCNH2CHRM2CHRM1CYP3A4
SCHEMBL4076604 0.79 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL5948687 0.79 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL5948374 0.79 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL4620926 0.79 CHRM3 (0.57) POLBKCNH2CHRM2CHRM1CYP3A4
SCHEMBL4075994 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL4075999 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL3201448 0.78 ALDH1A1 (0.56) POLBKCNH2CHRM2CHRM1CYP3A4
SCHEMBL3222102 0.78 ALDH1A1 (0.56) POLBKCNH2CHRM2CHRM1CYP3A4
SCHEMBL4620147 0.78 ALDH1A1 (0.51) POLBKCNH2CHRM2CHRM1CYP3A4

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 POLB 3123/4885KCNH2 766/4885CHRM2 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.