SCHEMBL10259802

SCHEMBL10259802

CC(C)N[C@H]1CC[C@@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
MDM2 Q00987 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ADRA2A P08913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 1/20 0.30
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 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
SCHEMBL104057 1.00 EPHX1 (0.41) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL13005885 1.00 EPHX1 (0.41) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25589882 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25893991 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25589883 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL2600363 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
SCHEMBL681668 0.88
SCHEMBL18458286 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
SCHEMBL16171239 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
Hydrochloric Acid SCHEMBL15847512 0.85

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-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) PHARMACYCLICS LLC (US) 2023-06-13 US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-12 US disclosed
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE PHARMACYCLICS, INC. (US) 2012-06-28 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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 (8 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-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EPHX1 2829/4885MDM2 2520/4885GAA 1904/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK EPHX1 2957/4885MDM2 2038/4885GAA 3067/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 EPHX1 1017/4885MDM2 3507/4885GAA 3041/4885
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 EPHX1 2636/4885MDM2 107/4885GAA 2187/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 EPHX1 511/4885MDM2 3577/4885GAA 3687/4885
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) BTK, LYN, SYK EPHX1 2960/4885MDM2 2964/4885GAA 3013/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 EPHX1 2535/4885MDM2 2223/4885GAA 2148/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK EPHX1 997/4885MDM2 1572/4885GAA 2940/4885

“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.