SCHEMBL1148690

SCHEMBL1148690

CCS(=O)(=O)OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL21071153 0.86 MAPT (0.54) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL14764990 0.85 TDP1 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL8269374 0.85 TDP1 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL18338681 0.83 MAPT (0.43) MAPTRAB9ASMN1; SMN2
SCHEMBL9860919 0.82 MAPT (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL28598566 0.81 MAPT (0.59) MAPTRAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL9861151 0.81 SMN1; SMN2 (0.51) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9861057 0.81 MAPT (0.51) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL2563647 0.80 TDP1 (0.48) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL19133388 0.79 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
EP-2185542-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 WO disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 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 (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-20090270355-A1 Compounds CMA1, HRH4, CCL11 MAPT 1962/4885RAB9A 247/4885SMN1; SMN2 4697/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 MAPT 3167/4885RAB9A 1052/4885SMN1; SMN2 4866/4885

“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.