SCHEMBL4693601

SCHEMBL4693601

[CH2]CCc1ccccc1NC(=O)CCC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HPGD P15428 4/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL4686633 0.93 NPC1 (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4688109 0.87 EPHX2 (0.57) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3560149 0.80 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL26623592 0.79 ALDH1A1 (0.69) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4689965 0.79 TDP1 (0.44) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3034142 0.76 MAPK1 (0.59) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL4687342 0.76 KMT2A (0.73) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4687682 0.76 EPHX2 (0.60) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29086702 0.75 EPHX2 (0.71) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4069437 0.75 EPHX2 (0.71) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
CN-1326853-C 4- (2-furoyl) aminopiperidines, intermediates for the synthesis thereof, process for the preparation thereof and use thereof as medicaments KYORIN SEIYAKU KK (JP) 2007-07-18 CN disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
CN-1582286-A Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN SEIYAKU KK (JP) 2005-02-16 CN disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP 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 (2 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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 ALDH1A1 383/4885HPGD 225/4885NPC1 3128/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 ALDH1A1 2958/4885HPGD 1099/4885NPC1 2992/4885

“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.