SCHEMBL12199014

SCHEMBL12199014

CC1CC2CCC(C1)N2C(=O)OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
CHRM1 P11229 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 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
SCHEMBL12293333 0.96 GPR119 (0.43) GPR119CHRM1CHRM2CHRM3PREP
SCHEMBL16281291 0.87 GPR119 (0.38) GPR119CHRM1CHRM2CHRM3TYK2
SCHEMBL12084278 0.81 CHRM1 (0.45) GPR119CHRM1CHRM2CHRM3SLC6A4
SCHEMBL12989090 0.81 GPR119 (0.41) GPR119CHRM1CHRM2CHRM3SLC6A4
SCHEMBL12086369 0.81 GPR119 (0.41) GPR119CHRM1CHRM2CHRM3TPSAB1
SCHEMBL16281308 0.80 GPR119 (0.34) GPR119
SCHEMBL13034559 0.79 JAK3 (0.38) GPR119CHRM1CHRM2CHRM3TYK2
SCHEMBL12086347 0.78 EPHX1 (0.40) GPR119CHRM1CHRM2CHRM3TPSAB1
SCHEMBL12988783 0.78 GPR119 (0.38) GPR119CHRM1CHRM2CHRM3SLC6A4
SCHEMBL12084009 0.78 CHRM1 (0.45) GPR119CHRM1CHRM2CHRM3PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
EP-2374455-A2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-12 EP disclosed
EP-2364705-A2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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 (2 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 GPR119 77/4885CHRM1 6/4885CHRM2 3/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GPR119 77/4885CHRM1 6/4885CHRM2 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.