SCHEMBL1108992

SCHEMBL1108992

CN1CC[C@@H](OS(C)(=O)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2D6 P10635 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1928299 1.00 CHRM4 (0.38) CHRM4CHRM5CHRM1CHRM3CYP2D6
SCHEMBL23175194 0.88 SMN1; SMN2 (0.46) CHRM1CHRM3CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL3749371 0.88 SMN1; SMN2 (0.46) CHRM1CHRM3CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL1928295 0.87 CYP2D6 (0.46) CHRM4CHRM5CHRM1CHRM3CYP2D6
SCHEMBL16382667 0.82 CHRM4 (0.32) CHRM4CHRM3HRH3
SCHEMBL8487018 0.78 HRH3 (0.32) HRH3
SCHEMBL8540595 0.78 TP53 (0.42) CYP2D6HRH3SMN1; SMN2ALDH1A1
SCHEMBL9918150 0.78 HRH3 (0.32) HRH3
SCHEMBL8540599 0.78 TP53 (0.42) CYP2D6HRH3SMN1; SMN2ALDH1A1
SCHEMBL8540600 0.78 TP53 (0.42) CYP2D6HRH3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633227-B2 Synthesis and novel salt forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2014-01-21 US disclosed
US-8153821-B2 Compounds TARGACEPT, INC. (US) 2012-04-10 US disclosed
US-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2012-01-19 US disclosed
US-20110269975-A1 NOVEL COMPOUNDS TARGACEPT, INC. (US) 2011-11-03 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 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 (4 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-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS CHRM4 3192/4885CHRM5 2471/4885CHRM1 4422/4885
US-20110269975-A1 NOVEL COMPOUNDS CHRNB2, CHRNA2, CHRNA5 CHRM4 16/4885CHRM5 17/4885CHRM1 21/4885
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake SLC6A2, TPH1, SLC6A3 CHRM4 140/4885CHRM5 76/4885CHRM1 36/4885
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 1/4885

“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.