SCHEMBL4073113

SCHEMBL4073113

CC(O)(C(=O)NC1C2CN(Cc3ccccc3)CC21)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 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
SCHEMBL4073432 1.00 HTR4 (0.47) HTR4CHRM2CHRM1CHRM3MEN1
SCHEMBL6177077 1.00 HTR4 (0.47) HTR4CHRM2CHRM1CHRM3MEN1
SCHEMBL5948027 0.87 CHRM3 (0.49) HTR4CHRM2CHRM1CHRM3S1PR1
SCHEMBL8766353 0.87 HTR4 (0.51) HTR4MEN1KMT2AS1PR1S1PR5
SCHEMBL4619381 0.83 CHRM2 (0.49) HTR4CHRM2CHRM1CHRM3S1PR1
SCHEMBL5948239 0.82 CHRM2 (0.65) CHRM2CHRM1CHRM3
SCHEMBL5948241 0.82 CHRM2 (0.65) CHRM2CHRM1CHRM3
SCHEMBL4618393 0.82 HTR4 (0.46) HTR4CHRM2CHRM1CHRM3S1PR1
SCHEMBL4084970 0.81 CHRM2 (0.72) CHRM2CHRM1CHRM3
SCHEMBL5948399 0.81 CHRM2 (0.69) 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-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US claimed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US claimed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HTR4 175/4885CHRM2 3/4885CHRM1 5/4885

“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.