SCHEMBL5099633

SCHEMBL5099633

CCN(CC1C2CN(Cc3ccccc3)CC21)C(=O)[C@@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.50
CHRM2 P08172 5/20 0.50
CHRM1 P11229 5/20 0.50
KDM4E B2RXH2 1/20 0.48
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
KCNH2 Q12809 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL4128106 1.00 CHRM3 (0.50) CHRM3CHRM2CHRM1KDM4ECYP2C19
SCHEMBL5099182 0.99 CHRM3 (0.51) CHRM3CHRM2CHRM1KDM4E
SCHEMBL4142742 0.99 CHRM3 (0.51) CHRM3CHRM2CHRM1KDM4E
SCHEMBL4619567 0.89 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL4620525 0.88 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL4143564 0.88 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL4883527 0.85 CHRM3 (0.51) CHRM3CHRM2CHRM1CYP2C19CYP1A2
SCHEMBL5096855 0.84 KDM4E (0.49) CHRM3KDM4E
SCHEMBL4141426 0.84 KDM4E (0.49) CHRM3KDM4E
SCHEMBL4887681 0.82 CHRM3 (0.50) CHRM3CHRM2CHRM1

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-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US claimed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 US claimed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US disclosed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 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-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 CHRM3 1/4885CHRM2 2/4885CHRM1 4/4885

“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.