SCHEMBL104800

SCHEMBL104800

CC(C)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL10130709 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL1911485 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL10130710 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL20329193 0.84 KDM4E (0.30) ALDH1A1KDM4EGAACYP2C9HPGD
SCHEMBL19012719 0.84 ALDH1A1 (0.34) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL25081335 0.84 KDM4E (0.33) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL18431554 0.82 PDK1 (0.31) PDK1
SCHEMBL25134333 0.82 PDK1 (0.31) PDK1
SCHEMBL24044808 0.79 KDM4E (0.36) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL24654733 0.79 KDM4E (0.36) PDK1ALDH1A1KDM4EGAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
EP-3870576-B1 BEZOPYRAZOLE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-01-24 EP disclosed
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2023222850-A1 AMIDO HETEROAROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF LIVER DISEASES ASTRAZENECA AB (SE) 2023-11-23 WO disclosed
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 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 (11 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDK1 2568/4885ALDH1A1 2353/4885KDM4E 1618/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV PDK1 4653/4885ALDH1A1 858/4885KDM4E 3682/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R PDK1 1684/4885ALDH1A1 3184/4885KDM4E 199/4885
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 PDK1 2801/4885ALDH1A1 2444/4885KDM4E 4191/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDK1 2568/4885ALDH1A1 2353/4885KDM4E 1618/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDK1 178/4885ALDH1A1 1715/4885KDM4E 1647/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 PDK1 3623/4885ALDH1A1 3230/4885KDM4E 674/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 PDK1 1713/4885ALDH1A1 299/4885KDM4E 4227/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD PDK1 126/4885ALDH1A1 3440/4885KDM4E 1266/4885

“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.