SCHEMBL3592329

SCHEMBL3592329

CC(C=O)N(C(=O)O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.44
ADH1C P00326 4/20 0.44
ADH1B P00325 1/20 0.44
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL8982330 0.79 ADH1B (0.39) ADH1AADH1CADH1BMAPTTSHR
SCHEMBL7274112 0.77 ADH1A (0.38) ADH1AADH1CADH1BTSHR
SCHEMBL3285529 0.77 ADH1A (0.38) ADH1AADH1CADH1BTSHR
SCHEMBL2338202 0.77 ADH1B (0.38) ADH1AADH1CADH1BMAPT
SCHEMBL3285531 0.75 ADH1C (0.35) ADH1AADH1CADH1BTSHR
SCHEMBL5850034 0.74 ALDH1A1 (0.37) ADH1AADH1CADH1BMAPT
SCHEMBL8759979 0.73 CTSL (0.37) ADH1AADH1CADH1BTSHR
SCHEMBL3671338 0.73 ADH1B (0.33) ADH1AADH1CADH1B
SCHEMBL3671340 0.73 ADH1B (0.33) ADH1AADH1CADH1B
SCHEMBL4975535 0.72 ALDH1A1 (0.34) ADH1AADH1CADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
US-7030262-B2 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 US disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 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 (4 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-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE ADH1A 1608/4885ADH1C 1634/4885ADH1B 1163/4885
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs HDGF, HCAR2, HCAR3 ADH1A 152/4885ADH1C 378/4885ADH1B 482/4885
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ADH1A 2553/4885ADH1C 2391/4885ADH1B 1098/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ADH1A 2553/4885ADH1C 2391/4885ADH1B 1098/4885

“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.