SCHEMBL2990935

SCHEMBL2990935

C[N+]1(C)CCC(OC(=O)C(Nc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.67
CHRM2 P08172 4/20 0.67
CHRM1 P11229 3/20 0.67
LMNA P02545 2/20 0.67
CHRM4 P08173 2/20 0.67
CHRM5 P08912 2/20 0.67
THRB P10828 2/20 0.67
BLM P54132 2/20 0.67
PMP22 Q01453 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
MTOR P42345 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD17B10 Q99714 1/20 0.67
PABPC1 P11940 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
ANPEP P15144 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL2993948 0.91 CHRM3 (0.57) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL2512019 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL2482977 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL3842006 0.82 CHRM3 (0.45) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL3784334 0.82 CHRM3 (0.45) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL2730650 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL16649331 0.80 CHRM2 (0.44) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL13240917 0.80 CHRM2 (0.44) CHRM3CHRM2CHRM1LMNACHRM4
SCHEMBL16649330 0.80 CHRM2 (0.44) CHRM3CHRM2CHRM1LMNACHRM4
Iodide SCHEMBL3987354 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNACHRM4

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 8 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-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

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.