SCHEMBL529529

SCHEMBL529529

CN(C)CCOc1ccc(N)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
FYN P06241 2/20 0.44
CHEK2 O96017 1/20 0.44
TDO2 P48775 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ROCK2 O75116 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30615515 1.00 HTR7 (0.46) HTR7FYNCHEK2TDO2CHRNB2
Hydrochloric Acid SCHEMBL22165813 0.98 HTR7 (0.45) HTR7FYNCHEK2TDO2CHRNB2
SCHEMBL4898544 0.91 FYN (0.49) FYNCHEK2KDM4E
SCHEMBL23620908 0.83 KDM4E (0.38) FYNCHEK2TDO2KEAP1KDM4E
SCHEMBL29837272 0.82 KDM4E (0.50) KEAP1KDM4EPOLBRAB9AMEN1
SCHEMBL23634035 0.82 KDM4E (0.50) KEAP1KDM4EPOLBRAB9AMEN1
SCHEMBL16973093 0.82 CHEK2 (0.43) FYNCHEK2PHLPP2KEAP1KDM4E
SCHEMBL16973165 0.81 CHEK2 (0.42) FYNCHEK2TDO2PHLPP2KEAP1
SCHEMBL29837259 0.81 KDM4E (0.48) FYNCHEK2KEAP1KDM4EPOLB
SCHEMBL29837257 0.81 KDM4E (0.48) KEAP1KDM4EPOLBRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 EP disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
EP-2105435-A1 HYDRAZONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-30 EP disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (5 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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R HTR7 60/4885FYN 1713/4885CHEK2 4446/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HTR7 606/4885FYN 3875/4885CHEK2 1633/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HTR7 1892/4885FYN 2131/4885CHEK2 4175/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HTR7 579/4885FYN 4354/4885CHEK2 1902/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 HTR7 2823/4885FYN 150/4885CHEK2 19/4885

“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.