SCHEMBL13034571

SCHEMBL13034571

CC#CCOC(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
MMP1 P03956 4/20 0.38
MMP9 P14780 4/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 1/20 0.38
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
RAB9A P51151 1/20 0.32
MMP13 P45452 3/20 0.31
ADAM17 P78536 3/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL15343543 0.81 MMP1 (0.35) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14309151 0.79 ADAM17 (0.35) CHRNB2CHRNA4MMP1MMP9MMP2
SCHEMBL12988412 0.77 MMP1 (0.35) MMP1MMP9MMP2MMP12MMP13
SCHEMBL12084037 0.77 MMP1 (0.35) MMP1MMP9MMP2MMP12
SCHEMBL576666 0.75 MMP1 (0.42) MMP1MMP9MMP2MMP12ADAM17
SCHEMBL2104569 0.75 MMP1 (0.42) MMP1MMP9MMP2MMP12ADAM17
SCHEMBL7211908 0.74
SCHEMBL27583590 0.74 MMP1 (0.36) MMP1MMP9MMP2MMP12
SCHEMBL261628 0.73
SCHEMBL577216 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US 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 (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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRNB2 16/4885CHRNA4 14/4885CHRM2 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.