SCHEMBL3775952

SCHEMBL3775952

O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(Nc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.57
CHRM2 P08172 19/20 0.57
CHRM1 P11229 13/20 0.56

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
SCHEMBL15144691 1.00 CHRM3 (0.57) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2484663 0.93 CHRM2 (0.52) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2992250 0.93 CHRM2 (0.52) CHRM3CHRM2CHRM1
SCHEMBL13240902 0.90 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL16649371 0.90 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL2507102 0.87 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL3775855 0.87 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL13240867 0.87 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL13282731 0.86 CHRM3 (0.43) CHRM3CHRM2CHRM1
SCHEMBL12014463 0.86 CHRM3 (0.62) 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
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 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-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885CHRM1 2/4885

“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.