SCHEMBL1713220

SCHEMBL1713220

CCCOC(=O)N1C2C[CH]CC1CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CHRM1 P11229 15/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
GRM5 P41594 1/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 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
SCHEMBL2989012 0.90 SMN1; SMN2 (0.43) GRM5
SCHEMBL1712921 0.87 CHRM1 (0.43) CHRM1CHRM4CHRM5GRM5
SCHEMBL2995198 0.83 SLC6A3 (0.34) KCNK3KCNK9CHRM1CHRM4CHRM5
SCHEMBL12293536 0.82 CHRM1 (0.42) KCNK3KCNK9CHRM1CHRM4CHRM5
SCHEMBL14145633 0.79 CHRM1 (0.56) KCNK3KCNK9CHRM1CHRM4CHRM5
SCHEMBL12199020 0.79 CHRM1 (0.43) KCNK3KCNK9CHRM1CHRM4CHRM5
SCHEMBL1712982 0.79 MEN1 (0.35) CHRM1GRM5
SCHEMBL2999610 0.78 RAB9A (0.44) CHRM1
SCHEMBL20942090 0.78 KDM4E (0.37) KCNK3KCNK9CHRM1CHRM4CHRM5
SCHEMBL3000144 0.78 CHRM1 (0.39) CHRM1CHRM4CHRM5GRM5CHRM2

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-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US claimed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP claimed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO claimed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 KCNK3 762/4885KCNK9 691/4885CHRM1 5/4885

“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.