SCHEMBL463245

SCHEMBL463245

C=CC(=O)N1CCC(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
ACHE P22303 1/20 0.43
TEAD1 P28347 4/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
TEAD3 Q99594 1/20 0.42
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TET3 O43151 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
TET1 Q8NFU7 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
SCHEMBL25200465 0.92 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL22296232 0.92 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL1687958 0.88 ALDH1A1 (0.41) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL15080935 0.88 ALDH1A1 (0.41) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL15726987 0.88 ALDH1A1 (0.41) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL21657795 0.84 ALDH1A1 (0.42) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL22461349 0.84 ALDH1A1 (0.41) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL25206318 0.83 JAK3 (0.38) ALDH1A1NPC1KMT2AMEN1HPGD
SCHEMBL17099705 0.82 TEAD1 (0.44) KMT2ATEAD1TEAD3TET3FBXL19
SCHEMBL237862 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981803-A Anti-tumor compound and synthesis method and application thereof 北京大学 2020-04-10 CN claimed
US-20250101241-A1 ACTIVE ENERGY RAY CURABLE COMPOSITION KJ CHEMICALS CORPORATION (JP) 2025-03-27 US disclosed
EP-4435021-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION KJ Chemicals Corporation (JP) 2024-09-25 EP disclosed
CN-118251428-A Active energy ray-curable composition 科巨希化学股份有限公司 2024-06-25 CN disclosed
US-20230391937-A1 POLYMERIZABLE COMPOSITION, PRODUCT OF POLYMERIZATION OF SAME, AND MOLDED ARTICLE OBTAINED USING THESE KJ CHEMICALS CORPORATION (JP) 2023-12-07 US disclosed
US-20230364096-A1 USE OF A COMBINATION COMPRISING A BTK INHIBITOR FOR TREATING CANCERS BEONE MEDICINES I GMBH (CH) 2023-11-16 US disclosed
US-20230364096-A1 USE OF A COMBINATION COMPRISING A BTK INHIBITOR FOR TREATING CANCERS BEONE MEDICINES I GMBH (CH) 2023-11-16 US disclosed
US-20230346953-A1 SUBSTITUTED 3-AMINO-5-PHENYLBENZAMIDE COMPOUNDS AS COVALENT INHIBITORS OF ENHANCER ZESTE HOMOLOG 2 (EZH2) AND PROTEOLYSIS-TARGETING CHIMERIC DERIVATIVES THEREOF (PROTACS) THAT INDUCE DEGRADATION OF EZH2 UNITED STATES GOVERNMENT 2023-11-02 US disclosed
US-20230346953-A1 SUBSTITUTED 3-AMINO-5-PHENYLBENZAMIDE COMPOUNDS AS COVALENT INHIBITORS OF ENHANCER ZESTE HOMOLOG 2 (EZH2) AND PROTEOLYSIS-TARGETING CHIMERIC DERIVATIVES THEREOF (PROTACS) THAT INDUCE DEGRADATION OF EZH2 UNITED STATES GOVERNMENT 2023-11-02 US disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-7960396-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-06-14 US disclosed
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-02-17 US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 US disclosed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US disclosed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 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 (13 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-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885NPC1 4519/4885KMT2A 1124/4885
US-20230391937-A1 POLYMERIZABLE COMPOSITION, PRODUCT OF POLYMERIZATION OF SAME, AND MOLDED ARTICLE OBTAINED USING THESE MTR, AHCY, MAT1A ALDH1A1 1664/4885NPC1 4705/4885KMT2A 147/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885NPC1 4519/4885KMT2A 1124/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885NPC1 4519/4885KMT2A 1124/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4461/4885NPC1 4551/4885KMT2A 1228/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885NPC1 4519/4885KMT2A 1124/4885
US-20230346953-A1 SUBSTITUTED 3-AMINO-5-PHENYLBENZAMIDE COMPOUNDS AS COVALENT INHIBITORS OF ENHANCER ZESTE HOMOLOG 2 (EZH2) AND PROTEOLYSIS-TARGETING CHIMERIC DERIVATIVES THEREOF (PROTACS) THAT INDUCE DEGRADATION OF EZH2 EZH2, BAZ2A, BAZ2B ALDH1A1 2801/4885NPC1 4348/4885KMT2A 22/4885
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN ALDH1A1 4459/4885NPC1 4519/4885KMT2A 1124/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 ALDH1A1 4117/4885NPC1 3691/4885KMT2A 890/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 ALDH1A1 2716/4885NPC1 4606/4885KMT2A 887/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN ALDH1A1 3930/4885NPC1 4210/4885KMT2A 994/4885
US-20250101241-A1 ACTIVE ENERGY RAY CURABLE COMPOSITION PARP1, CAP1, XRN2 ALDH1A1 1599/4885NPC1 4290/4885KMT2A 2181/4885
US-20230364096-A1 USE OF A COMBINATION COMPRISING A BTK INHIBITOR FOR TREATING CANCERS BTK, LCK, LYN ALDH1A1 3035/4885NPC1 4284/4885KMT2A 426/4885

“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.