SCHEMBL537566

SCHEMBL537566

CC(C)(C)OC(=O)N1CCNc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
ESR2 Q92731 1/20 0.49
HPGD P15428 1/20 0.48
NR1H2 P55055 2/20 0.48
NAMPT P43490 5/20 0.47
EPHX2 P34913 1/20 0.45
AHR P35869 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
MAPT P10636 1/20 0.43
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL6617521 0.84 MAPK1 (0.72) MAPK1ESR2NR1H2NAMPTCRBN
SCHEMBL15522791 0.83 MAPK1 (0.70) MAPK1ESR2NR1H2NAMPTDDB1
SCHEMBL1396670 0.82 MAPK1 (0.70) MAPK1ESR2NR1H2NAMPTAHR
SCHEMBL15523943 0.82 MAPK1 (0.70) MAPK1ESR2NR1H2DDB1CRBN
SCHEMBL19652058 0.82 MAPK1 (0.69) MAPK1HPGDEPHX2AHR
SCHEMBL15523081 0.81 MAPK1 (0.67) MAPK1ESR2NR1H2DDB1CRBN
SCHEMBL725393 0.81 MAPK1 (0.67) MAPK1ESR2NR1H2NAMPTDDB1
SCHEMBL23874307 0.80 MAPK1 (0.67) MAPK1ESR2NR1H2AHRDDB1
SCHEMBL379244 0.80 MAPK1 (0.66) MAPK1HPGDNAMPTAHRMAPT
SCHEMBL29676965 0.79 MAPK1 (0.64) MAPK1ESR2NR1H2NAMPTDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782995-B1 SPIRO CONDENSED IMIDAZOLINE-2,4-DIONE DERIVATIVES AS HISTONE ACETYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES SHANGHAI INST MATERIA MEDICA CAS (CN) 2023-11-22 EP disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
EP-3097078-B1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2022-05-25 EP disclosed
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
WO-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 US disclosed
EP-3782995-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-02-24 EP disclosed
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US disclosed
WO-2019201291-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF 中国科学院上海药物研究所 2019-10-24 WO disclosed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 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 (8 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT MAPK1 901/4885ESR2 4818/4885HPGD 2845/4885
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 MAPK1 1174/4885ESR2 3254/4885HPGD 649/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A MAPK1 2931/4885ESR2 989/4885HPGD 699/4885
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 MAPK1 572/4885ESR2 1814/4885HPGD 1331/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 MAPK1 1174/4885ESR2 3254/4885HPGD 649/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS MAPK1 1583/4885ESR2 1755/4885HPGD 1391/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A MAPK1 2931/4885ESR2 989/4885HPGD 699/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B MAPK1 2062/4885ESR2 647/4885HPGD 286/4885

“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.