SCHEMBL4690643

SCHEMBL4690643

COC(=O)C(CCC1(CCOCc2ccccc2)CCCCC1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
FOLH1 Q04609 1/20 0.36
KYNU Q16719 1/20 0.35
EPHX2 P34913 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL4691046 0.89 CYP2C19 (0.40) SMN1; SMN2HTTALDH1A1TSHRCYP2C19
SCHEMBL27543912 0.81 ALDH1A1 (0.40) CTSBALDH1A1TSHRCYP2C19
SCHEMBL4690683 0.79 CHRM3 (0.38) SMN1; SMN2HTTALDH1A1TSHRCYP2C19
SCHEMBL4687092 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HTTALDH1A1TSHRMEN1
SCHEMBL4690044 0.77 CHRM3 (0.42) ALDH1A1TSHR
SCHEMBL25120992 0.76 MMP3 (0.50) SMN1; SMN2HTTALDH1A1TSHRL3MBTL1
SCHEMBL4687898 0.74 TSHR (0.41) ALDH1A1TSHRLMNA
SCHEMBL4687442 0.74 CYP4F2 (0.37)
SCHEMBL26649093 0.74 CHRM3 (0.44) ALDH1A1TSHRKMT2A
SCHEMBL26648920 0.74 CYP4F2 (0.46) CTSLCTSBCTSSSMN1; SMN2HTT

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 9 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
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 CTSL 3661/4885CTSB 3262/4885CTSS 3304/4885
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 CTSL 2629/4885CTSB 3671/4885CTSS 1551/4885

“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.