SCHEMBL1696309

SCHEMBL1696309

O=C(O[C@H]1CN2CCC1CC2)C(Nc1cccc(F)c1)c1csc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 2/20 0.45
CHRM3 P20309 8/20 0.44
CHRM2 P08172 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRNA7 P36544 3/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.39

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
SCHEMBL16476711 1.00 NTMT1 (0.45) NTMT1CHRM3CHRM2CHRM1CHRNA7
SCHEMBL1696312 1.00 NTMT1 (0.45) NTMT1CHRM3CHRM2CHRM1CHRNA7
SCHEMBL1696095 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL12071893 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1696141 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1696173 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1696097 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1696093 0.91 CHRNA7 (0.51) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL16460944 0.88 CYP2D6 (0.45) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL16460946 0.88 CYP2D6 (0.45) CHRM3CHRM2CHRM1CHRNA7BCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 NTMT1 445/4885CHRM3 1/4885CHRM2 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.