SCHEMBL4689732

SCHEMBL4689732

C=CC1(CC(=O)O)CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.37
MAPK1 P28482 1/20 0.33
PTGS1 P23219 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16150052 1.00 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL6860579 0.98 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL4929033 0.93 CYP2C19 (0.40) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2693566 0.89
SCHEMBL6365584 0.80 CYP2C19 (0.50) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL21847321 0.79 CYP2C19 (0.36) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL4689889 0.79 CYP2C19 (0.32) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL7696323 0.78 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL13980643 0.76 CYP3A4 (0.35) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL6366405 0.75 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA

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 28/4885ALDH1A1 383/4885CYP1A2 2/4885
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 679/4885ALDH1A1 2958/4885CYP1A2 314/4885

“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.