SCHEMBL5948243

SCHEMBL5948243

O=C(NC12CC1CN(Cc1ccc([N+](=O)[O-])cc1)C2)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.48
CHRM1 P11229 9/20 0.48
CHRM3 P20309 9/20 0.48
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5948242 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3SIGMAR1ALDH1A1
SCHEMBL4076574 0.80 CHRM2 (0.58) CHRM2CHRM1CHRM3
SCHEMBL4076571 0.80 CHRM2 (0.58) CHRM2CHRM1CHRM3
SCHEMBL4466104 0.76 CHRM3 (0.43) CHRM2CHRM1CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL9196506 0.72 KDM4E (0.51) CHRM2CHRM1CHRM3SIGMAR1ALDH1A1
SCHEMBL3912068 0.71 CHRM2 (0.54) CHRM2CHRM1CHRM3
SCHEMBL3908289 0.71 CHRM2 (0.54) CHRM2CHRM1CHRM3
SCHEMBL3920032 0.71 CHRM2 (0.54) CHRM2CHRM1CHRM3
SCHEMBL5948406 0.71 CHRM2 (0.56) CHRM2CHRM1CHRM3
SCHEMBL3913264 0.71 CHRM2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM2 3/4885CHRM1 5/4885CHRM3 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.