SCHEMBL2219085

SCHEMBL2219085

CC(C)(C)OC(=O)N1CCC(Nc2cc(C#N)ccc2O)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.59
IRAK4 Q9NWZ3 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NSD2 O96028 2/20 0.49
CNR1 P21554 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
ALK Q9UM73 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL16876713 0.88 GPR119 (0.58) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL4438915 0.86 GPR119 (0.61) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL16876720 0.85 GPR119 (0.55) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL14008588 0.83 GPR119 (0.58) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL4716931 0.83 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL377889 0.83 ALDH1A1 (0.70) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL7190957 0.83 GPR119 (0.57) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL2228142 0.82 IRAK4 (0.43) GPR119IRAK4
SCHEMBL377671 0.81 ALDH1A1 (0.58) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL2414692 0.80 GPR119 (0.59) GPR119IRAK4ALDH1A1NPC1MAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344483-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-01 EP disclosed
EP-2344483-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-01 EP disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2010-08-19 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2010037723-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-04-08 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 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 (3 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-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 GPR119 19/4885IRAK4 1466/4885ALDH1A1 1041/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 GPR119 19/4885IRAK4 1466/4885ALDH1A1 1041/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 GPR119 19/4885IRAK4 1466/4885ALDH1A1 1041/4885

“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.