SCHEMBL2683476

SCHEMBL2683476

O=C1c2ccccc2C(=O)N1C#CCCl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.42
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLS O94925 1/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD3 P35462 1/20 0.37
ELANE P08246 1/20 0.37
PKM P14618 1/20 0.37
ALDH2 P05091 1/20 0.37
CHRM1 P11229 1/20 0.37
CES1 P23141 1/20 0.37
ALDH3A1 P30838 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5340450 0.80 POLB (0.46) CASP3CA12CA9MEN1KMT2A
SCHEMBL7484938 0.80 DRD3 (0.41) CASP3CA12CA9MEN1KMT2A
SCHEMBL613586 0.80 DRD3 (0.44) CASP3CA12CA9MEN1KMT2A
SCHEMBL900640 0.77 DRD3 (0.46) CASP3CA12CA9CA1CA2
SCHEMBL4632890 0.74 ALDH1A1 (0.49) CASP3CA12CA9CA1CA2
SCHEMBL10871583 0.74 DRD3 (0.44) CA12CA9ALDH1A1DRD3ALDH2
SCHEMBL8059312 0.73 DRD3 (0.39) CASP3ALDH1A1DRD3GAA
SCHEMBL5069988 0.73 NR1H2 (0.44) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL6302393 0.72 CASP3 (0.43) CASP3CA12CA9MEN1KMT2A
SCHEMBL7491735 0.72 ADRA1D (0.53) ALDH1A1ALDH3A1POLBGAA

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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
EP-1631569-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS Novartis AG (CH) 2006-03-08 EP disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 CASP3 3673/4885CA12 1074/4885CA9 1135/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 CASP3 3673/4885CA12 1074/4885CA9 1135/4885

“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.