SCHEMBL3680077

SCHEMBL3680077

COC(=O)CCc1ccc(N2CCNCC2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.40
USP25 Q9UHP3 11/20 0.40
USP28 Q96RU2 11/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
AOC3 Q16853 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 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
SCHEMBL3684659 0.85 USP28 (0.48) USP25USP28AOC3HTR3EHTR3B
SCHEMBL4540918 0.79 ADRB1 (0.50) ALDH1A1MAPTHSD17B10USP25USP28
SCHEMBL23630504 0.76 AOC3 (0.60) KDM4EAOC3
SCHEMBL18046156 0.75 ALDH1A1 (0.53) NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29943877 0.75 AOC3 (0.59) KDM4EAOC3
Hydrochloric Acid SCHEMBL23630339 0.75 AOC3 (0.59) KDM4EAOC3
SCHEMBL8251108 0.74 MAPT (0.47) NPC1RAB9ANPSR1ALDH1A1MAPT
SCHEMBL11216725 0.73 ALDH1A1 (0.71) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3680833 0.72 ALDH1A1 (0.44) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL2852759 0.72 HTR6 (0.50) KDM4E

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 NPC1 1502/4885KDM4E 1472/4885RAB9A 2601/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 NPC1 1502/4885KDM4E 1472/4885RAB9A 2601/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 NPC1 1502/4885KDM4E 1472/4885RAB9A 2601/4885

“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.