SCHEMBL3684699

SCHEMBL3684699

CCOC(=O)CCc1ccc(N2CCCCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.54
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CACNA1H O95180 2/20 0.45
ME2 P23368 5/20 0.44
ME1 P48163 5/20 0.44
ME3 Q16798 5/20 0.44
DGAT2 Q96PD7 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
DGAT1 O75907 1/20 0.41

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
SCHEMBL2808922 0.86 AOC3 (0.52) AOC3HPGDSMN1; SMN2CACNA1HNPC1
SCHEMBL846644 0.80 CYP4F2 (0.59) CYP4F2CYP4A11HRH3HPGDSMN1; SMN2
SCHEMBL847690 0.80 CYP4F2 (0.59) CYP4F2CYP4A11HRH3HPGDSMN1; SMN2
SCHEMBL21679022 0.78 KMT2A (0.48) KMT2ARXFP1DGAT1
SCHEMBL958369 0.77 CYP4F2 (0.61) CYP4F2CYP4A11HRH3SMN1; SMN2MAPT
SCHEMBL7469230 0.76 P2RY12 (0.63) HRH3HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL12601594 0.76 AOC3 (0.55) AOC3HRH3CACNA1HME2ME1
SCHEMBL3676514 0.76 CYP4F2 (0.59) CYP4F2CYP4A11HRH3LMNAMAPT
SCHEMBL3683823 0.75 CA12 (0.51) AOC3HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL21266676 0.75 AOC3 (0.61) AOC3HPGDSMN1; SMN2ME2ME1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 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-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AOC3 522/4885CYP4F2 1033/4885CYP4A11 109/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AOC3 522/4885CYP4F2 1033/4885CYP4A11 109/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AOC3 522/4885CYP4F2 1033/4885CYP4A11 109/4885

“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.