SCHEMBL646408

SCHEMBL646408

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6476990 0.92
SCHEMBL583649 0.92
SCHEMBL5965337 0.92
Water SCHEMBL6244435 0.90
SCHEMBL992260 0.90
SCHEMBL361549 0.84
Hydrochloric Acid SCHEMBL3021166 0.82
SCHEMBL27510109 0.81 EPHX1 (0.39) EPHX1GAA
SCHEMBL3525420 0.80 EPHX2 (0.39) EPHX1GAA
SCHEMBL9200042 0.80 KDM5A (0.38) EPHX1BTKGAA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2020-02-27 US disclosed
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2019-04-02 US disclosed
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
EP-3186271-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS Vida Therapeutics, Inc. (CA) 2017-07-05 EP disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
WO-2016015159-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2016-02-04 WO disclosed
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO 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 (10 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-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2415/4885BTK 1246/4885GAA 131/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2415/4885BTK 1246/4885GAA 131/4885
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 EPHX1 4498/4885BTK 3987/4885GAA 87/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 EPHX1 4498/4885BTK 3987/4885GAA 87/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 EPHX1 4498/4885BTK 3987/4885GAA 87/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2415/4885BTK 1246/4885GAA 131/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2364/4885BTK 1261/4885GAA 133/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2364/4885BTK 1261/4885GAA 133/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX1 2415/4885BTK 1246/4885GAA 131/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP EPHX1 4733/4885BTK 3739/4885GAA 168/4885

“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.