SCHEMBL4170053

SCHEMBL4170053

CN1C2CCCC1CC(CC(O)(C1CCCCC1)C1CCCCC1)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.44
CHRM2 P08172 12/20 0.44
CHRM1 P11229 12/20 0.44
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRM4 P08173 2/20 0.34
MAPK1 P28482 1/20 0.32

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
SCHEMBL5429532 1.00 CHRM3 (0.44) CHRM3CHRM2CHRM1LMNACYP2C9
SCHEMBL5431021 0.98 CHRM3 (0.45) CHRM3CHRM2CHRM1LMNACYP2C9
SCHEMBL5110174 0.95 CHRM3 (0.49) CHRM3CHRM2CHRM1LMNACYP2C9
SCHEMBL5103094 0.93 CHRM3 (0.50) CHRM3CHRM2CHRM1LMNACYP2C9
SCHEMBL5439639 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL5439637 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL13559728 0.76 CHRM3 (0.47) CHRM3CHRM2CHRM1LMNACYP2C9
SCHEMBL8518913 0.73 CYP1A2 (0.36) CHRM2CHRM1CHRM4
SCHEMBL16616932 0.73 CYP1A2 (0.36) CHRM2CHRM1CHRM4
SCHEMBL4162513 0.73 CHRM3 (0.51) CHRM3CHRM2CHRM1

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 4 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
EP-1781103-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-05-14 EP disclosed
EP-1781103-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-05-09 EP disclosed
WO-2006017767-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-02-16 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 (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-20090076061-A1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNA7, CHRNA2 CHRM3 1/4885CHRM2 7/4885CHRM1 19/4885

“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.