SCHEMBL227325

SCHEMBL227325

C=C(C)C(=O)OCCN(C)C.C=C(CC)C(=O)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
DNM1 Q05193 1/20 0.45
THRB P10828 2/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
NAAA Q02083 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL1704602 0.92 TSHR (0.66) TSHRDNM1THRBALDH1A1POLB
SCHEMBL8424369 0.92 TSHR (0.66) TSHRDNM1THRBALDH1A1POLB
SCHEMBL10348567 0.90 TSHR (0.60) TSHRDNM1THRBALDH1A1POLB
SCHEMBL9806862 0.88 TSHR (0.75) TSHRDNM1THRBALDH1A1POLB
SCHEMBL28905711 0.88 TSHR (0.74) TSHRDNM1THRBALDH1A1POLB
SCHEMBL427500 0.87 TSHR (0.58) TSHRDNM1THRBALDH1A1POLB
SCHEMBL29139797 0.86 TSHR (0.77) TSHRDNM1THRBALDH1A1POLB
SCHEMBL9505548 0.86 TSHR (0.77) TSHRDNM1THRBALDH1A1POLB
SCHEMBL10939056 0.86 TSHR (0.77) TSHRDNM1THRBALDH1A1POLB
SCHEMBL9667032 0.86 TSHR (0.63) TSHRDNM1THRBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139858-A Pyrazin-3 (2H) -one derivatives 吉利德科学公司 2024-06-04 CN disclosed
US-20230257386-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2023-08-17 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-11535622-B2 Pyrrolo[1,2-b] pyridazine derivatives GILEAD SCIENCES, INC. (US) 2022-12-27 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220055985-A1 SULFINYLAMINOBENZAMIDE AND SULFONYLAMINOBENZAMIDE DERIVATIVES GILEAD SCIENCES, INC. 2022-02-24 US disclosed
US-11136290-B2 Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives THE LIVER COMPANY INC. (US) 2021-10-05 US disclosed
US-20210214363-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2021-07-15 US disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 US disclosed
US-6528511-B2 E.g., ranolazine CV THERAPEUTICS, INC. 2003-03-04 US disclosed
US-6525057-B2 In binder film CV THERAPEUTICS, INC. 2003-02-25 US disclosed
US-6503911-B2 Administering a sustained release pharmaceutical dosage form including ranolazine for therapy of cardiovascular disease selected from arrhythmias, variant and exercise-induced angina, and myocardial infarction CV THERAPEUTICS, INC. 2003-01-07 US disclosed
US-6479496-B1 TREATING A HUMAN PATIENT SUFFERING FROM VARIANT AND EXERCISE-INDUCED ANGINA BY ADMINISTERING A SUSTAINED RELEASE PHARMACEUTICAL DOSAGE FORM INCLUDING AT LEAST 50% BY WEIGHT RANOLAZINE IN NO MORE THAN TWO TABLETS PER DOSE CV THERAPEUTICS, INC. 2002-11-12 US disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 US disclosed
US-20020090396-A1 Sustained release ranolazine formulations CV THERAPEUTICS, INC. 2002-07-11 US disclosed
US-6369062-B1 TABLET WITH PH DEPENDENT METHACRYLIC ACID COPOLYMER BINDER, HYDROXYPROPYL METHYLCELLULOSE, MICROCRYSTALLINE CELLULOSE, SODIUM HYDROXIDE, AND MAGNESIUM STERATE CV THERAPEUTICS, INC. 2002-04-09 US disclosed
US-20010047000-A1 Partial fatty acid oxidation inhibitors in the treatment of congestive heart failure GILEAD SCIENCES, INC. 2001-11-29 US disclosed
US-6303607-B1 ADMINISTERING SUSTAINED RELEASE PHARMACEUTICAL DOSAGE FORM INCLUDING RANOLAZINE, PH-DEPENDENT AND PH-INDEPENDENT BINDERS TO HUMAN SUFFERING FROM VARIANT OR EXCERCISE-INDUCED ANGINA CV THERAPEUTICS, INC. 2001-10-16 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 (12 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-20210214363-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS TSHR 2044/4885DNM1 275/4885THRB 1555/4885
US-20220055985-A1 SULFINYLAMINOBENZAMIDE AND SULFONYLAMINOBENZAMIDE DERIVATIVES STS, SULT2A1, SCN2B TSHR 1080/4885DNM1 3776/4885THRB 700/4885
US-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TSHR 811/4885DNM1 3486/4885THRB 344/4885
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS TSHR 2596/4885DNM1 285/4885THRB 1556/4885
US-11535622-B2 Pyrrolo[1,2-b] pyridazine derivatives CYP11B2, CYP11B1, DHPS TSHR 2044/4885DNM1 275/4885THRB 1555/4885
US-20230257386-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS TSHR 2044/4885DNM1 275/4885THRB 1555/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 TSHR 2900/4885DNM1 2953/4885THRB 600/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 TSHR 2222/4885DNM1 1577/4885THRB 3327/4885
US-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 TSHR 3699/4885DNM1 866/4885THRB 1762/4885
US-20010047000-A1 Partial fatty acid oxidation inhibitors in the treatment of congestive heart failure FABP3, COXFA4, CPT2 TSHR 2860/4885DNM1 2438/4885THRB 2161/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 TSHR 2900/4885DNM1 2953/4885THRB 600/4885
US-11136290-B2 Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives STS, SULT2A1, SCN2B TSHR 1080/4885DNM1 3776/4885THRB 700/4885

“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.