SCHEMBL646727

SCHEMBL646727

CCOC(=O)N1CCC(CC)(N2CCC(N3C(=O)N[C@H]4CCCC[C@@H]43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.46
OPRM1 P35372 8/20 0.46
OPRK1 P41145 3/20 0.45
OPRD1 P41143 1/20 0.45
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 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
SCHEMBL647219 0.92 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1MAPK1
Azd-6088 SCHEMBL648601 0.89 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1MAPK1
Azd-6088 SCHEMBL647335 0.89 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1MAPK1
Azd-6088 SCHEMBL649525 0.89 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1MAPK1
Azd-6088 SCHEMBL649526 0.89 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1MAPK1
Azd-6088 SCHEMBL649524 0.89 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1MAPK1
SCHEMBL16494087 0.89 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1
SCHEMBL16494520 0.89 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1MAPK1
SCHEMBL648172 0.89 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL647436 0.85 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP claimed
EP-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 EP claimed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO claimed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
EP-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 EP disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 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-20090076078-A1 New compounds 966 OPRM1, OPRL1, OPRK1 OPRL1 2/4885OPRM1 1/4885OPRK1 3/4885

“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.