SCHEMBL4690379

SCHEMBL4690379

COC(=O)c1cc(OCCC2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCCC2)cc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP3A4 P08684 2/20 0.34
HTT P42858 2/20 0.34
ALOX5AP P20292 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4690971 0.91 KMT2A (0.36) ABL1KMT2AKDM4ECYP3A4HTT
SCHEMBL5776738 0.84 MAPT (0.50) ABL1MAPTRAB9AKMT2AKDM4E
SCHEMBL4690348 0.83 MEN1 (0.47) ABL1MAPTKMT2AKDM4EHTT
SCHEMBL4687841 0.82 KMT2A (0.37) KMT2ACYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL5779621 0.81 MAPT (0.47) ABL1MAPTRAB9AKMT2AKDM4E
SCHEMBL4691042 0.81 ALDH1A1 (0.36) KMT2ACYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL2112969 0.79 MAPT (0.47) ABL1MAPTRAB9AKMT2AKDM4E
SCHEMBL4687092 0.78 SMN1; SMN2 (0.38) ABL1KMT2ACYP3A4HTTSMN1; SMN2
SCHEMBL5112445 0.78 ALDH1A1 (0.42) MAPTRAB9AKMT2AKDM4ECYP3A4
SCHEMBL1843269 0.78 SMYD2 (0.36) ABL1CYP3A4HTTSMN1; 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 8 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-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-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-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 ABL1 758/4885MAPT 3833/4885RAB9A 1076/4885
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 ABL1 3502/4885MAPT 4708/4885RAB9A 1901/4885

“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.