SCHEMBL9078331

SCHEMBL9078331

COC(=O)C=C1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
BTK Q06187 1/20 0.44
GAA P10253 2/20 0.43
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
EPHX2 P34913 1/20 0.42
CTSK P43235 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL27872188 0.86 KDM1A (0.45) NFKB1NFKB2RELABTKGAA
SCHEMBL29045771 0.85 BTK (0.49) NFKB1NFKB2RELABTKGAA
SCHEMBL15285432 0.85 NFKB1 (0.41) NFKB1NFKB2RELABTKGAA
SCHEMBL26873668 0.82 EPHX2 (0.46) NFKB1NFKB2RELABTKGAA
SCHEMBL28539529 0.81 GAA (0.50) NFKB1NFKB2RELABTKGAA
SCHEMBL22723924 0.79 BTK (0.47) NFKB1NFKB2RELABTKGAA
SCHEMBL24643192 0.76 CTSK (0.54) NFKB1NFKB2RELABTKGAA
SCHEMBL570801 0.75 GAA (0.54) NFKB1NFKB2RELABTKGAA
SCHEMBL11225493 0.75 HCAR2 (0.39) NFKB1NFKB2RELA
SCHEMBL9285717 0.75 SMN1; SMN2 (0.44) NFKB1NFKB2RELAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059671-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2024-02-22 US disclosed
CN-115246801-A Free base crystal form containing piperazine polycyclic derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-10-28 CN disclosed
WO-2022100710-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2022-05-19 WO disclosed
CN-113056454-A Quadricyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-06-29 CN disclosed
WO-2021083246-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-05-06 WO disclosed
CN-111770754-A Polycyclic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-10-13 CN disclosed
WO-2020156312-A1 POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 WO disclosed
EP-2970146-B1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2017-11-01 EP disclosed
EP-2909201-B1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP disclosed
US-9388148-B2 Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine D3 receptor ABBVIE INC. (US) 2016-07-12 US disclosed
US-9376396-B2 Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-28 US disclosed
EP-2970146-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
EP-2909201-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2015-08-26 EP disclosed
US-20140303176-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-09 US disclosed
WO-2014140246-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275104-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140194437-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-10 US disclosed
WO-2014064038-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-01 WO disclosed
US-5567726-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE-LIKE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS MERCK, SHARP & DOHME LTD. (GB) 1996-10-22 US disclosed
WO-1994002477-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO 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 (4 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-20140275104-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR DRD3, DRD2, ADCY3 NFKB1 3866/4885NFKB2 3298/4885RELA 3943/4885
US-20240059671-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE TYK2, ERBB2, PTK2B NFKB1 1896/4885NFKB2 1255/4885RELA 3009/4885
US-20140303176-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR DRD3, DRD2, ADCY3 NFKB1 3866/4885NFKB2 3298/4885RELA 3943/4885
US-20140194437-A1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR DRD3, DRD2, HTR3C NFKB1 3778/4885NFKB2 3340/4885RELA 3993/4885

“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.