SCHEMBL3483469

SCHEMBL3483469

[CH2]CN(CC1CCCCC1)C(=O)NCCCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
NAAA Q02083 1/20 0.43
EPHX1 P07099 9/20 0.42
EPHX2 P34913 2/20 0.41
REN P00797 1/20 0.41
METAP2 P50579 1/20 0.40
BCHE P06276 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11550654 0.75 OPRM1 (0.38) OPRM1OPRD1NAAAEPHX1EPHX2
SCHEMBL3482840 0.75 EPHX1 (0.42) EPHX1
SCHEMBL3482966 0.75 NAAA (0.43) NAAAEPHX1EPHX2NPSR1
SCHEMBL3482856 0.74 EPHX1 (0.47) EPHX1EPHX2NPSR1
SCHEMBL10536742 0.72 NAAA (0.50) NAAAEPHX1EPHX2NPSR1
SCHEMBL3483039 0.71 MMP2 (0.41) EPHX1
SCHEMBL628952 0.70 KEAP1 (0.57) NAAAEPHX1EPHX2
SCHEMBL9547591 0.70 NAAA (0.47) NAAAEPHX1EPHX2NPSR1
SCHEMBL16640975 0.70 BCHE (0.37) OPRM1OPRD1NAAAEPHX1REN
SCHEMBL3483157 0.69 ALOX5 (0.41) OPRM1OPRD1EPHX1

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 OPRM1 157/4885OPRD1 57/4885NAAA 1503/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 OPRM1 249/4885OPRD1 77/4885NAAA 712/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 OPRM1 249/4885OPRD1 77/4885NAAA 712/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 OPRM1 3271/4885OPRD1 3148/4885NAAA 4266/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 OPRM1 249/4885OPRD1 77/4885NAAA 712/4885

“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.