SCHEMBL4691046

SCHEMBL4691046

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC1A1 P43005 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36
AGTR2 P50052 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4690643 0.89 CTSL (0.39) CYP2C19HTTSMN1; SMN2FOLH1ALDH1A1
SCHEMBL4690683 0.84 CHRM3 (0.38) CYP2C19HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL27543912 0.84 ALDH1A1 (0.40) CYP2C19ALDH1A1TSHRCHRM2CHRM1
SCHEMBL4690044 0.82 CHRM3 (0.42) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL4687898 0.79 TSHR (0.41) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL26649093 0.79 CHRM3 (0.44) ALDH1A1KMT2ATSHRCHRM2CHRM1
SCHEMBL2973368 0.76 TSHR (0.52) CYP2C19HTTSMN1; SMN2FOLH1ALDH1A1
SCHEMBL4900900 0.76 CHRM3 (0.44) ALDH1A1KMT2ATSHRCHRM2CHRM1
SCHEMBL30200875 0.72 OPRM1 (0.42) MEN1KMT2AEPHX2TSHRCHRM2
SCHEMBL22437368 0.72 TSHR (0.47) ALDH1A1KMT2AEPHX2TSHRCHRM2

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 5 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
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 CYP2C19 28/4885HTT 4673/4885SMN1; SMN2 4591/4885
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 CYP2C19 679/4885HTT 4867/4885SMN1; SMN2 3652/4885

“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.