SCHEMBL4690528

SCHEMBL4690528

[CH2]Cc1ccccc1NC(C(=O)CC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
P2RX7 Q99572 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
REN P00797 3/20 0.36
CACNA1B Q00975 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4688034 0.83 P2RX7 (0.43) TDP1L3MBTL1P2RX7NPC1RAB9A
SCHEMBL4687682 0.71 EPHX2 (0.60) TDP1P2RX7NPC1RAB9AEPHX2
SCHEMBL4930927 0.70 KMT2A (0.51) L3MBTL1EPHX2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4925269 0.70 TDP1 (0.39) TDP1L3MBTL1P2RX7NPC1RAB9A
SCHEMBL4690529 0.69 HDAC1 (0.36) TDP1L3MBTL1P2RX7NPC1RAB9A
SCHEMBL4919046 0.68 KMT2A (0.50) TDP1NPC1RAB9AEPHX2ALDH1A1
SCHEMBL4689965 0.67 TDP1 (0.44) TDP1L3MBTL1P2RX7NPC1RAB9A
SCHEMBL5766 0.66 LMNA (0.48) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9555995 0.62 KMT2A (0.44) RENCACNA1BALDH1A1HSD17B10KMT2A
SCHEMBL8692722 0.62 ITGA4 (0.38) KMT2A

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 TDP1 4032/4885L3MBTL1 4882/4885P2RX7 769/4885
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 TDP1 4782/4885L3MBTL1 3273/4885P2RX7 352/4885

“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.