SCHEMBL13674841

SCHEMBL13674841

OC1CN(c2ncc(Br)cn2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
PANK3 Q9H999 1/20 0.35
AOC3 Q16853 1/20 0.35
NR1H2 P55055 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL9990025 0.85 ACACB (0.41) ACACBHDAC6HDAC3HDAC4HDAC1
SCHEMBL24184396 0.85 AOC3 (0.49) ACACBKDM4EHDAC6GRM2GRM3
SCHEMBL24184102 0.85 AOC3 (0.49) ACACBKDM4EHDAC6GRM2GRM3
SCHEMBL25180689 0.85 AOC3 (0.49) ACACBKDM4EHDAC6GRM2GRM3
SCHEMBL23246818 0.82 HDAC6 (0.50) HDAC6GRM2GRM3AOC3
SCHEMBL17057373 0.81 AOC3 (0.35) ACACBHDAC6HDAC3HDAC4HDAC1
SCHEMBL356301 0.80 SMO (0.42) KDM4EGRM2GRM3PANK3AOC3
SCHEMBL20474631 0.79 KDM4E (0.39) ACACBKDM4EHDAC6HDAC3HDAC4
SCHEMBL17201947 0.79 KDM4E (0.39) ACACBKDM4EHDAC6HDAC3HDAC4
SCHEMBL9989341 0.79 KDM4E (0.39) ACACBKDM4EHDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916777-B ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2024-07-12 CN disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
CN-115916777-A ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2023-04-04 CN disclosed
EP-3585775-B1 AZETIDINE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2022-04-06 EP disclosed
WO-2022007882-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2022-01-13 WO disclosed
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. 2015-03-19 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US disclosed
US-7582633-B2 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA L.L.C. (CA) 2009-09-01 US disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 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 (6 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-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 ACACB 215/4885KDM4E 2449/4885HDAC6 2392/4885
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 ACACB 2221/4885KDM4E 1166/4885HDAC6 1489/4885
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 ACACB 20/4885KDM4E 1577/4885HDAC6 1949/4885
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 ACACB 213/4885KDM4E 2530/4885HDAC6 2450/4885
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATXN10, GCG, ATXN2L ACACB 3126/4885KDM4E 1181/4885HDAC6 789/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 ACACB 20/4885KDM4E 1577/4885HDAC6 1949/4885

“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.