SCHEMBL3483413

SCHEMBL3483413

[CH2]CN(C)C(=O)NCCCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
EPHX2 P34913 2/20 0.43
ACHE P22303 8/20 0.42
MMP2 P08253 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
DNM1 Q05193 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL9547518 0.83 EPHX1 (0.48) EPHX1EPHX2ACHEMMP2DNM1
SCHEMBL30945812 0.80 EPHX2 (0.61) EPHX1EPHX2ACHEMMP2ZDHHC20
SCHEMBL4587697 0.79
SCHEMBL8173536 0.79 EPHX1 (0.52) EPHX1ACHEMMP2DNM1TSHR
SCHEMBL3091042 0.79 EPHX1 (0.52) EPHX1ACHEMMP2DNM1TSHR
SCHEMBL4586395 0.78 MEN1 (0.44) TSHRHTT
SCHEMBL3482840 0.77 EPHX1 (0.42) EPHX1ACHEMMP2ZDHHC20ZDHHC2
SCHEMBL11875688 0.77 EPHX1 (0.50) EPHX1ACHEMMP2DNM1TSHR
SCHEMBL26332653 0.75 EPHX1 (0.48) EPHX1ACHEMMP2DNM1TSHR
Urea SCHEMBL28834377 0.73 EPHX1 (0.47) EPHX1ACHEMMP2DNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103211811-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2015-06-10 CN disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
CN-103211811-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-07-24 CN disclosed
CN-101932317-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-03-27 CN disclosed
CN-101932317-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2010-12-29 CN disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 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
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 CN 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R EPHX1 297/4885EPHX2 146/4885ACHE 3542/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 EPHX1 305/4885EPHX2 223/4885ACHE 3840/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 EPHX1 305/4885EPHX2 223/4885ACHE 3840/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 EPHX1 3984/4885EPHX2 4091/4885ACHE 1976/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 EPHX1 305/4885EPHX2 223/4885ACHE 3840/4885

“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.