SCHEMBL4184498

SCHEMBL4184498

CN1CC2CCC(C1)C2OC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CHRM3 P20309 8/20 0.56
CHRM2 P08172 3/20 0.56
CHRM1 P11229 2/20 0.55
HRH1 P35367 2/20 0.55
KCNH2 Q12809 2/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
HTR2B P41595 1/20 0.55
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
SLC29A1 Q99808 1/20 0.48

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
Phencynonate SCHEMBL7092217 0.96 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
Phencynonate SCHEMBL29506428 0.96 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
Phencynonate SCHEMBL29380090 0.95 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
Phencynonate SCHEMBL7093102 0.95 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4977949 0.87 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4977941 0.87 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4985765 0.86 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4985771 0.86 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4190990 0.84 CHRM2 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4193800 0.83 CHRM2 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US claimed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP claimed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO claimed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1361/4885CYP1A2 355/4885CYP3A4 477/4885

“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.