SCHEMBL89043

SCHEMBL89043

CC(C)N1CCCC[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HRH3 Q9Y5N1 6/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGLL Q99685 1/20 0.32
LIPE Q05469 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.30
ACHE P22303 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL6903141 1.00 KDM4E (0.42) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL681878 1.00 KDM4E (0.42) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL16285870 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL1117927 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL21363734 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL21398619 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL19750189 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL9963376 0.92
SCHEMBL681681 0.92
SCHEMBL17108529 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES NOVIRA THERAPEUTICS, LLC 2023-02-09 US disclosed
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 US disclosed
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2022-07-07 US disclosed
US-11203591-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-12-21 US disclosed
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2021-08-17 US disclosed
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-01-30 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2017-11-02 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 WO disclosed
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2017-05-11 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 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 (16 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-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 KDM4E 3824/4885GAA 185/4885HPGD 1135/4885
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 KDM4E 226/4885GAA 1450/4885HPGD 533/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 KDM4E 4860/4885GAA 3460/4885HPGD 1674/4885
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885GAA 221/4885HPGD 1736/4885
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MYB, MYBBP1A, MYCBP KDM4E 315/4885GAA 3712/4885HPGD 3505/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 KDM4E 674/4885GAA 2403/4885HPGD 1327/4885
US-11203591-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK KDM4E 1027/4885GAA 1464/4885HPGD 539/4885
US-20220213091-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK KDM4E 1027/4885GAA 1464/4885HPGD 539/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KDM4E 1623/4885GAA 1161/4885HPGD 3999/4885
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB KDM4E 2096/4885GAA 4027/4885HPGD 3699/4885
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885GAA 221/4885HPGD 1736/4885
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885GAA 221/4885HPGD 1736/4885
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB KDM4E 2096/4885GAA 4027/4885HPGD 3699/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885GAA 2007/4885HPGD 1850/4885
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, NQO2, DPYD KDM4E 1820/4885GAA 1005/4885HPGD 119/4885
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK KDM4E 1027/4885GAA 1464/4885HPGD 539/4885

“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.