SCHEMBL3075748

SCHEMBL3075748

OCc1ncoc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
FBP1 P09467 1/20 0.43
LIMK2 P53671 1/20 0.43
GRM5 P41594 1/20 0.42
NOTUM Q6P988 7/20 0.41
GSK3B P49841 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL1931971 0.81 GAA (0.53) ADORA2ALIMK2GRM5NOTUMKDM4E
SCHEMBL14391718 0.81 ADORA2A (0.46) ADORA2AFBP1LIMK2NOTUMGSK3B
SCHEMBL244662 0.81 ADORA2A (0.46) ADORA2AFBP1LIMK2NOTUMGSK3B
SCHEMBL2413968 0.81 ADORA2A (0.46) ADORA2AFBP1LIMK2GRM5NOTUM
SCHEMBL30913205 0.80 GRM5 (0.57) GRM5NOTUMHCRTR1HCRTR2MAPK14
SCHEMBL8334922 0.78 ADORA2A (0.44) ADORA2AFBP1LIMK2GSK3BKDM4E
SCHEMBL12867188 0.77 ADORA2A (0.42) ADORA2AFBP1LIMK2NOTUMGSK3B
SCHEMBL2132665 0.75 GRM5 (0.56) GRM5GSK3BHCRTR1HCRTR2L3MBTL1
SCHEMBL4937416 0.74 LIMK2 (0.47) ADORA2AFBP1LIMK2GSK3BKDM4E
SCHEMBL4937409 0.74 LIMK2 (0.47) ADORA2AFBP1LIMK2NOTUMGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
EP-2788332-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN, INC. (US) 2014-10-15 EP disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (6 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 ADORA2A 1159/4885FBP1 3961/4885LIMK2 2914/4885
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B ADORA2A 2195/4885FBP1 3044/4885LIMK2 1918/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ADORA2A 680/4885FBP1 2310/4885LIMK2 3903/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ADORA2A 1110/4885FBP1 3993/4885LIMK2 2940/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ADORA2A 680/4885FBP1 2310/4885LIMK2 3903/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ADORA2A 680/4885FBP1 2310/4885LIMK2 3903/4885

“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.