SCHEMBL1747732

SCHEMBL1747732

[CH2]C1CCN(C(=O)OCCOC)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.45
MMP3 P08254 7/20 0.45
MMP9 P14780 7/20 0.45
MMP8 P22894 7/20 0.45
MMP13 P45452 7/20 0.45
MMP1 P03956 5/20 0.45
GAA P10253 1/20 0.44
MMP7 P09237 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.38
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL8263022 0.84 ALDH1A1 (0.46) MMP2MMP3MMP9MMP8MMP13
SCHEMBL1267093 0.82 GAA (0.62) GAAL3MBTL1THRBATMTSHR
SCHEMBL12086305 0.81 GAA (0.46) MMP2MMP3MMP9MMP8MMP13
SCHEMBL18933177 0.80 GAA (0.41) MMP2MMP3MMP9MMP8MMP13
SCHEMBL12083947 0.80 CYP2D6 (0.43) MMP2MMP3MMP9MMP8MMP13
SCHEMBL12988684 0.80 MMP2 (0.48) MMP2MMP3MMP9MMP8MMP13
SCHEMBL15139532 0.79 ALDH1A1 (0.41) MMP2MMP3MMP9MMP8MMP13
SCHEMBL5048847 0.78 LIPE (0.44) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14467603 0.78 GAA (0.43) MMP2MMP3MMP9MMP8MMP13
SCHEMBL771849 0.77 BRD4 (0.44) GAAL3MBTL1THRBATMTSHR

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-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MMP2 3844/4885MMP3 3833/4885MMP9 3681/4885

“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.