SCHEMBL4687898

SCHEMBL4687898

ICCC1(CCOCc2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.39
CHRM3 P20309 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR1 P25103 2/20 0.36
NAAA Q02083 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 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
SCHEMBL4690044 0.85 CHRM3 (0.42) TSHRALDH1A1LTA4HCHRM3CHRM2
SCHEMBL4690683 0.79 CHRM3 (0.38) TSHRALDH1A1LTA4HCHRM3CHRM2
SCHEMBL4691046 0.79 CYP2C19 (0.40) TSHRALDH1A1LTA4HCHRM3CHRM2
SCHEMBL4900900 0.78 CHRM3 (0.44) TSHRALDH1A1LTA4HCHRM3CHRM2
SCHEMBL17100019 0.75 TSHR (0.52) TSHRLTA4HCHRM3CHRM2CHRM1
SCHEMBL30200875 0.75 OPRM1 (0.42) TSHRLTA4HCHRM3CHRM2CHRM1
SCHEMBL25237906 0.74 TSHR (0.47) TSHRALDH1A1LTA4HCHRM3CHRM2
SCHEMBL22437368 0.74 TSHR (0.47) TSHRALDH1A1CHRM3CHRM2CHRM1
SCHEMBL4690643 0.74 CTSL (0.39) TSHRALDH1A1LMNA
SCHEMBL2794206 0.73 TSHR (0.41) TSHRALDH1A1LTA4HCHRM3CHRM2

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 8 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
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 TSHR 3215/4885ALDH1A1 383/4885LTA4H 1293/4885
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 TSHR 570/4885ALDH1A1 2958/4885LTA4H 720/4885

“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.