SCHEMBL4692647

SCHEMBL4692647

[CH2]c1ccccc1NC(=O)CC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.63
P2RX7 Q99572 2/20 0.55
AAK1 Q2M2I8 1/20 0.53
NPC1 O15118 7/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.48
NAMPT P43490 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
SCHEMBL4687682 0.82 EPHX2 (0.60) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL7159830 0.82 P2RX7 (0.74) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL4688109 0.80 EPHX2 (0.57) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL4687186 0.78 EPHX2 (0.58) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL3822162 0.78 EPHX2 (1.00) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4690268 0.77 EPHX2 (0.57) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL4688016 0.76 EPHX2 (0.56) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL4686987 0.76 EPHX2 (0.56) EPHX2P2RX7AAK1NPC1RAB9A
SCHEMBL4866294 0.76 EPHX2 (0.97) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3932279 0.74 CETP (0.64) P2RX7NPC1RAB9ASMN1; SMN2ALDH1A1

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 EPHX2 329/4885P2RX7 769/4885AAK1 647/4885
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 EPHX2 510/4885P2RX7 352/4885AAK1 1191/4885

“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.