SCHEMBL13928643

SCHEMBL13928643

CN1CC[C@@H](OC(=O)[C@@](C)(c2ccccc2)C2CCCC2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CHRM3 P20309 12/20 0.63
CHRM1 P11229 4/20 0.56
CHRM4 P08173 3/20 0.56
CHRM5 P08912 1/20 0.56
CHRM2 P08172 3/20 0.50
MLNR O43193 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50

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
SCHEMBL13928641 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL10098830 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13928645 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13928644 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL20355839 1.00 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13928647 0.94 CYP2D6 (0.75) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13928650 0.94 CYP2D6 (0.75) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13701451 0.93 CHRM3 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4245324 0.93 CHRM3 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL13701453 0.93 CHRM3 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3

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-20090042942-A1 Muscarinic Receptor Antagonists ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090042942-A1 Muscarinic Receptor Antagonists ASTRAZENECA AB (SE) 2009-02-12 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 (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-20090042942-A1 Muscarinic Receptor Antagonists CHRM2, CHRM3, CHRM1 ALDH1A1 2300/4885CYP1A2 490/4885CYP3A4 522/4885

“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.