SCHEMBL4690044

SCHEMBL4690044

OCCC1(CCOCc2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL26649093 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL4687898 0.85 TSHR (0.41) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL4690683 0.85 CHRM3 (0.38) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL4900900 0.84 CHRM3 (0.44) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL4691046 0.82 CYP2C19 (0.40) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL27543912 0.81 ALDH1A1 (0.40) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL22437368 0.81 TSHR (0.47) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL30200875 0.81 OPRM1 (0.42) CHRM3CHRM2CHRM1SLC6A2PDE4A
SCHEMBL7818237 0.77 GAA (0.43) OPRM1ALDH1A1KDM4EPOLB
SCHEMBL4690643 0.77 CTSL (0.39) TSHRALDH1A1

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 CHRM3 2162/4885CHRM2 1461/4885CHRM1 1358/4885
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 CHRM3 39/4885CHRM2 22/4885CHRM1 17/4885

“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.