SCHEMBL4692794

SCHEMBL4692794

[CH2]C(=O)NCCCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ EPHX2 P34913 10/20 0.46
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2906712 0.88 GAA (0.50) CYP1A2ALDH1A1GAAMGAMSI
SCHEMBL25349245 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL50331 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL7670643 0.82 TSHR (0.58) ALDH1A1SMN1; SMN2EPHX2
SCHEMBL27679001 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL31126988 0.81 EPHX1 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL4415432 0.81 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL17891818 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL27780836 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL26478860 0.80 ZDHHC20 (0.56) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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-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
CN-1326853-C 4- (2-furoyl) aminopiperidines, intermediates for the synthesis thereof, process for the preparation thereof and use thereof as medicaments KYORIN SEIYAKU KK (JP) 2007-07-18 — — CN 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
CN-1582286-A Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN SEIYAKU KK (JP) 2005-02-16 — — CN 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 CYP1A2 2/4885CYP3A4 6/4885CYP2C19 28/4885
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 CYP1A2 314/4885CYP3A4 347/4885CYP2C19 679/4885

“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.

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