SCHEMBL4686980

SCHEMBL4686980

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
OPRM1 P35372 3/20 0.32
MMP8 P22894 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCR1 P32246 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL4690217 0.88 HSD11B1 (0.32) SMYD2SMN1; SMN2CYP3A4HTTPIN1
SCHEMBL13980734 0.84 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTTALDH1A1
SCHEMBL13980603 0.83
SCHEMBL1843269 0.80 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL1844316 0.80 SMYD2 (0.38) SMYD2SMN1; SMN2CYP3A4HTTADORA3
SCHEMBL4686577 0.79 SMYD2 (0.34) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL4687092 0.78 SMN1; SMN2 (0.38) SMYD2SMN1; SMN2CYP3A4HTTALDH1A1
SCHEMBL27564258 0.78 TDP1 (0.34) SMYD2SMN1; SMN2CYP3A4HTTALDH1A1
SCHEMBL4688955 0.78 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL4687409 0.78 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTT

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 7 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-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 4461/4885SMN1; SMN2 4591/4885CYP3A4 6/4885
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 1436/4885SMN1; SMN2 3652/4885CYP3A4 347/4885

“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.