SCHEMBL4691044

SCHEMBL4691044

CC(=O)Oc1cc(OCCC2(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCCC2)c(C)c(OC(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PDCD1 Q15116 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PGR P06401 2/20 0.31
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4687852 0.81 SMYD2 (0.31) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL27564283 0.80 PGR (0.35) MAPTMAPK1PDCD1ACE2CD274
SCHEMBL5112445 0.79 ALDH1A1 (0.42) SMYD2MAPTCYP3A4HTTSMN1; SMN2
SCHEMBL4690971 0.78 KMT2A (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4691042 0.78 ALDH1A1 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4690348 0.77 MEN1 (0.47) MAPTHTTSMN1; SMN2
SCHEMBL4691050 0.76 SMN1; SMN2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4690379 0.76 ABL1 (0.42) MAPTCYP3A4HTTSMN1; SMN2
SCHEMBL4687841 0.75 KMT2A (0.37) SMYD2MAPK1CYP3A4HTTSMN1; SMN2
SCHEMBL1843269 0.75 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; 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 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 SMYD2 4461/4885MAPT 3833/4885MAPK1 3654/4885
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 SMYD2 1436/4885MAPT 4708/4885MAPK1 2707/4885

“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.