SCHEMBL1747808

SCHEMBL1747808

[CH2]C1(C)CCN(C(=O)OCC)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 4/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
APP P05067 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL7601879 0.84 TSHR (0.55) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL895343 0.82 L3MBTL1 (0.55) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL12086321 0.81 TSHR (0.52) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL21138360 0.80 TSHR (0.55) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1268057 0.79 TSHR (0.50) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL30182246 0.79 TSHR (0.50) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1684895 0.79
SCHEMBL10985089 0.79 ALDH1A1 (0.72) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL5986980 0.78 TSHR (0.53) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL17177194 0.78 TSHR (0.48) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB

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 8 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
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 TSHR 131/4885ALDH1A1 2356/4885SMN1; SMN2 3349/4885

“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.