Sugi Predict

Sugi Predict / Compounds / SCHEMBL6848748

SCHEMBL6848748

SCHEMBL6848748

COc1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.55
▸ NAMPT P43490 2/20 0.54
▸ GRM1 Q13255 9/20 0.53
▸ GRM5 P41594 8/20 0.53
▸ MMP2 P08253 2/20 0.49
▸ ADAM10 O14672 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ QDPR P09417 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TNK2 Q07912 1/20 0.46

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
SCHEMBL29914770 1.00 PDK4 (0.55) PDK4NAMPTGRM1GRM5MMP2
SCHEMBL2954198 0.90 NAMPT (0.54) PDK4NAMPTGRM1GRM5TDP1
SCHEMBL21767871 0.88 PDK4 (0.47) PDK4NAMPTGRM1GRM5MMP2
SCHEMBL29941117 0.88 PDK4 (0.47) PDK4NAMPTGRM1GRM5MMP2
SCHEMBL13993114 0.88 PDK4 (0.53) PDK4NAMPTGRM1GRM5MMP2
SCHEMBL7831576 0.87 PDK4 (0.58) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL8193684 0.87 NAMPT (0.59) PDK4NAMPTGRM1GRM5QDPR
SCHEMBL4872355 0.86 PDK4 (0.51) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL29914645 0.86 PDK4 (0.57) PDK4NAMPTGRM1GRM5QDPR
SCHEMBL1364792 0.86 PDK4 (0.57) PDK4NAMPTGRM1GRM5QDPR

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 35 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-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
WO-2019149205-A1 BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2019-08-08 — — 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
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
WO-2014193932-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. (US) 2014-12-04 — — WO disclosed
WO-2014193932-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. (US) 2014-12-04 — — WO disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 — — WO disclosed
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 — — US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 — — US disclosed
EP-0886636-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT-1D.BETA. RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1998-12-30 — — EP disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 — — 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 (7 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 2751/4885NAMPT 719/4885GRM1 451/4885
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R PDK4 4379/4885NAMPT 4015/4885GRM1 132/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R PDK4 2737/4885NAMPT 3335/4885GRM1 214/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 PDK4 2751/4885NAMPT 719/4885GRM1 451/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 PDK4 1189/4885NAMPT 1444/4885GRM1 2182/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 PDK4 1189/4885NAMPT 1444/4885GRM1 2182/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 PDK4 2751/4885NAMPT 719/4885GRM1 451/4885

“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.