SCHEMBL3787176

SCHEMBL3787176

N[C@@H](Cc1ccccc1)C(=O)O[C@H]1C[N+]2(CC(=O)c3ccccc3)CCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.45
CHRM2 P08172 16/20 0.45
TYR P14679 1/20 0.44
CHRM1 P11229 9/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3787178 1.00 CHRM3 (0.45) CHRM3CHRM2TYRCHRM1NPSR1
Trifluoroacetic Acid SCHEMBL2994330 0.92 CHRM3 (0.42) CHRM3CHRM2TYRCHRM1NPSR1
SCHEMBL3785620 0.87 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL3785626 0.87 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL13240898 0.85 CHRM3 (0.46) CHRM3CHRM2TYRCHRM1
SCHEMBL3782039 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
SCHEMBL13282721 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
SCHEMBL3775856 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
SCHEMBL3775862 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1NPSR1
Bromide SCHEMBL2542613 0.83 CHRM3 (0.44) CHRM3CHRM2CHRM1NPSR1

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 6 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-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
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 (2 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885TYR 3454/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885TYR 3454/4885

“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.