SCHEMBL3436385

SCHEMBL3436385

Cc1ccccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.69
GRM5 P41594 10/20 0.62
GRM1 Q13255 10/20 0.62
HTR6 P50406 1/20 0.57
NAMPT P43490 1/20 0.55
CNR1 P21554 1/20 0.49
JAK1 P23458 1/20 0.48

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
SCHEMBL31150581 0.90 PDK4 (0.67) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL21855632 0.90 PDK4 (0.67) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL19284578 0.89 PDK4 (0.65) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL12712612 0.87 PDK4 (0.69) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL19284673 0.86 PDK4 (0.62) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL3642397 0.86 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL17268510 0.86 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL30061046 0.86 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL2882861 0.86 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL30135250 0.86 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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 (6 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-20160031871-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 PDK4 2751/4885GRM5 750/4885GRM1 451/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 PDK4 2751/4885GRM5 750/4885GRM1 451/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 PDK4 1189/4885GRM5 1092/4885GRM1 2182/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 PDK4 1189/4885GRM5 1092/4885GRM1 2182/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 PDK4 2751/4885GRM5 750/4885GRM1 451/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PDK4 1001/4885GRM5 1055/4885GRM1 1918/4885

“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.