SCHEMBL4170801

SCHEMBL4170801

CN1C2CCCC1CC(=CC#N)C2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
DRD3 P35462 1/20 0.34

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
SCHEMBL13916556 1.00 MAPK1 (0.48) MAPK1DRD3
SCHEMBL9048142 0.92 MAPK1 (0.38) MAPK1DRD3
SCHEMBL3913743 0.79 DRD3 (0.30) DRD3
SCHEMBL13743617 0.79 DRD3 (0.30) DRD3
SCHEMBL14351155 0.75 MAPK1 (0.56) MAPK1
SCHEMBL15177748 0.68 DRD3 (0.33) DRD3
SCHEMBL17278812 0.68
Water SCHEMBL11498201 0.66 MAPK1 (0.52) MAPK1
SCHEMBL13908059 0.66 MAPK1 (1.00) MAPK1
SCHEMBL551145 0.66 MAPK1 (1.00) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076061-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
US-20070293531-A1 Muscarinic Acetycholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-12-20 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-20090076061-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNA7, CHRNA2 MAPK1 4435/4885DRD3 795/4885
US-20070293531-A1 Muscarinic Acetycholine Receptor Antagonists CHRM3, CHRNA7, CHRNA2 MAPK1 4435/4885DRD3 795/4885

“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.