SCHEMBL4614064

SCHEMBL4614064

COC(=O)C1CCCC1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM3 P20309 1/20 0.53
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
PPP1CC P36873 1/20 0.39

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
SCHEMBL9133786 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL9133791 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL272354 0.94 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL8058857 0.94 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL13595131 0.94 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL11514730 0.94 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL28866489 0.92 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL28527891 0.92 SLC6A2 (0.50) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL17816439 0.91 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL2983239 0.91 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776829-A Method for continuously preparing amine compound 上海巽田科技股份有限公司 2024-03-29 CN disclosed
CN-108658762-B Synthesis method of alicyclic o-diester 浙江凯普化工有限公司 2021-03-02 CN disclosed
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US disclosed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 EP disclosed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 US disclosed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP disclosed
EP-0952997-B1 POLYMERIZATION OF OLEFINS DU PONT (US) 2004-08-11 EP disclosed
US-6613915-B1 Nickel (II) complexes of certain monoanionic bidentate ligands; pyrrole-2-imine ligand intermediate E. I. DU PONT DE NEMOURS AND COMPANY 2003-09-02 US disclosed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 WO disclosed
US-6174975-B1 ADDITION POLYMERIZATION, CATALYSTS AND COORDINATION COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY 2001-01-16 US disclosed
EP-0952997-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-03 EP disclosed
WO-1998030609-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-16 WO disclosed
US-5414016-A New leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-09 US 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 (1 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-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS CHRM2 4167/4885CHRM4 4398/4885CHRM3 3347/4885

“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.