SCHEMBL13240846

SCHEMBL13240846

O=C(O[C@H]1CN2CCC1CC2)C(Nc1ccccc1F)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 11/20 0.51
▸ CHRM2 P08172 8/20 0.51
▸ CHRM1 P11229 8/20 0.51
▸ GAA P10253 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CHRNA7 P36544 2/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ CYP2D6 P10635 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
SCHEMBL2484798 0.94 CHRM3 (0.58) CHRM3CHRM2CHRM1GAAATM
SCHEMBL13241016 0.94 CHRM3 (0.58) CHRM3CHRM2CHRM1GAAATM
SCHEMBL13240791 0.88 CHRNA7 (0.55) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL13240822 0.88 CHRM3 (0.56) CHRM3CHRM2CHRM1GAAATM
SCHEMBL2485023 0.88 CHRM3 (0.56) CHRM3CHRM2CHRM1GAAATM
SCHEMBL1695649 0.88 CHRM3 (0.56) CHRM3CHRM2CHRM1GAAATM
SCHEMBL1695646 0.88 CHRM3 (0.56) CHRM3CHRM2CHRM1GAAATM
SCHEMBL2487991 0.87 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL2487995 0.87 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1701362 0.86 CHRM3 (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 — — US disclosed
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-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
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 — — US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 — — US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 — — US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 — — WO 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 4/4885CHRM1 2/4885
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.

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