SCHEMBL136090

SCHEMBL136090

CC(C)(C)OC(=O)[N+]1([O-])CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
DGAT1 O75907 1/20 0.30
GAA P10253 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
SCHEMBL5421441 1.00 HPGD (0.31) HPGDDGAT1GAA
SCHEMBL2785917 0.98 DGAT1 (0.31) DGAT1
SCHEMBL569888 0.94 DGAT1 (0.31) DGAT1
SCHEMBL2064367 0.78 HPGD (0.33) HPGDDGAT1GAA
SCHEMBL6504809 0.77 CHRM2 (0.31)
SCHEMBL3247299 0.77
SCHEMBL5568399 0.77 HPGD (0.32) HPGDDGAT1GAA
SCHEMBL6608329 0.77 HPGD (0.32) HPGDDGAT1GAA
SCHEMBL6580066 0.76 LMNA (0.34)
SCHEMBL14896297 0.74 DGAT1 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO claimed
US-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BY) 2024-04-04 US disclosed
CN-110452235-B Fluorine-containing isoxazole compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
CN-106132956-B Heterocyclic compound, preparation method and application thereof 中国科学院上海药物研究所 2019-12-10 CN disclosed
WO-2019214656-A1 FLUORINE-CONTAINING ISOXAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2019-11-14 WO disclosed
EP-3551628-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 EP disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-6166033-A 2-carbonylthiazole derivatives and use of the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US disclosed
EP-0940401-A1 2-CARBONYLTHIAZOLE DERIVATIVES AND USE OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1999-09-08 EP disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 US disclosed
US-5852049-A Aromatic ethers derived from indoles which are useful as medicaments PIERRE FABRE MEDICAMENT (FR) 1998-12-22 US disclosed
US-5734059-A Production intermediate and process for producing pyridine derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-03-31 US disclosed
EP-0787724-A1 NOVEL INTERMEDIATE FOR PRODUCTION AND PROCESS FOR PRODUCING PYRIDINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP 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 (3 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-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 HPGD 1103/4885DGAT1 2148/4885GAA 2279/4885
US-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CDK2, CCNK HPGD 964/4885DGAT1 3192/4885GAA 1497/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 HPGD 1103/4885DGAT1 2148/4885GAA 2279/4885

“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.