SCHEMBL4691308

SCHEMBL4691308

C=CCCCC(CCC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCCC1)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4691393 0.93 CYP3A4 (0.32) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4687080 0.88 CYP3A4 (0.30) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL13980668 0.84 MAPK1 (0.36) CYP3A4HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4691144 0.82
SCHEMBL4691390 0.80 CYP3A4 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL1843269 0.78 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4690217 0.77 HSD11B1 (0.32) SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL4686980 0.77 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL1847373 0.76 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4688955 0.76 SMYD2 (0.33) 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 4 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-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 4461/4885CYP3A4 6/4885HTT 4673/4885
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 1436/4885CYP3A4 347/4885HTT 4867/4885

“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.