SCHEMBL4690529

SCHEMBL4690529

[CH2]Cc1ccccc1N(CC(=O)OC(C)(C)C)C(=O)CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GSTO1 P78417 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.33
REN P00797 1/20 0.33
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL4688031 0.83 EPHX2 (0.41) HDAC1HDAC6NPC1RAB9AEPHX2
SCHEMBL5966931 0.80 LTB4R2 (0.41) NPC1RAB9AGSTO1HTR2CSLC6A4
SCHEMBL5966908 0.75 LTB4R2 (0.45) GSTO1MEN1KMT2A
SCHEMBL4690528 0.69 TDP1 (0.39) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL9134688 0.68 PTPN1 (0.40) GSTO1L3MBTL1
SCHEMBL4413319 0.67 MLYCD (0.44) HDAC1HDAC6NPC1RAB9ATDP1
SCHEMBL588154 0.67 EPHX1 (0.41) TDP1L3MBTL1MEN1KMT2A
SCHEMBL4689964 0.67 CYSLTR2 (0.42) HDAC1HDAC6NPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL27692549 0.66 EPHX1 (0.41) TDP1L3MBTL1MEN1KMT2A
SCHEMBL10006319 0.66 L3MBTL1 (0.42) TDP1L3MBTL1MEN1KMT2A

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 5 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
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
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 HDAC1 3496/4885HDAC6 3286/4885NPC1 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 HDAC1 2331/4885HDAC6 2961/4885NPC1 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.