SCHEMBL564569

SCHEMBL564569

CC(C)(O)Cc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
IDO1 P14902 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NR3C1 P04150 2/20 0.32
NR3C2 P08235 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GMNN O75496 1/20 0.31
GABBR2 O75899 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL25343119 0.86 ADRB1 (0.39) ADRB1IDO1CA12CA1CA9
SCHEMBL31155364 0.84 RXRA (0.40) IDO1ALDH1A1CYP3A4
SCHEMBL1912679 0.80 IDO1 (0.41) ADRB1IDO1CA12CA1CA9
SCHEMBL564843 0.78 SLC6A2 (0.50) ADRB1IDO1CA12CA1CA9
SCHEMBL31155410 0.78 IDO1 (0.39) ADRB1IDO1CA12CA1CA9
SCHEMBL25344332 0.77 NR3C1 (0.39) SLC6A3NR3C1NR3C2CYP3A4CYP2C9
SCHEMBL4930066 0.76 ESR1 (0.43) IDO1KMT2ALMNACYP3A4CYP2C9
SCHEMBL14456864 0.75 ESR1 (0.41) ADRB1IDO1CYP4F2CYP4A11CTSD
SCHEMBL9747633 0.75 ALDH1A1 (0.39) NR3C1NR3C2MEN1KMT2AGMNN
SCHEMBL14307073 0.74 IDO1 (0.37) ADRB1IDO1MEN1KMT2AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024199402-A1 HETEROCYCLIC COMPOUND AS AT2R ANTAGONIST 武汉人福创新药物研发中心有限公司 2024-10-03 WO disclosed
CN-118724877-A Heterocyclic compounds as AT2R antagonists 武汉人福创新药物研发中心有限公司 2024-10-01 CN disclosed
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076507-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-9802918-B2 Pyridineamine compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 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 (7 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-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 ADRB1 1/4885IDO1 2974/4885CA12 4007/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ADRB1 38/4885IDO1 2838/4885CA12 99/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR ADRB1 115/4885IDO1 2893/4885CA12 727/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 ADRB1 56/4885IDO1 1760/4885CA12 273/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B ADRB1 73/4885IDO1 2797/4885CA12 314/4885
US-20170158670-A1 PYRIDINEAMINE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 ADRB1 2723/4885IDO1 826/4885CA12 4839/4885
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 ADRB1 3635/4885IDO1 3142/4885CA12 4458/4885

“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.