SCHEMBL2825514

SCHEMBL2825514

COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
PDE4B Q07343 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
STS P08842 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45

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
SCHEMBL20632691 0.94 PDE4B (0.49) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL3316022 0.89 PDE4B (0.43) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL4402806 0.88 GPR119 (0.54) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL214982 0.87 GPR119 (0.55) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL25725919 0.87 PDE4D (0.51) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL217021 0.86 GPR119 (0.54) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL2491113 0.86 GPR119 (0.63) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL30043078 0.86 ALDH1A1 (0.46) ALDH1A1HRH3LMNAMAPTHTT
SCHEMBL1447329 0.85 GPR119 (0.54) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL21633387 0.84 GPR119 (0.53) GPR119PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2024-12-24 US disclosed
CN-114929675-B Adamantane derivatives as focal adhesion kinase inhibitors 三进制药株式会社 2024-02-13 CN disclosed
EP-3856719-B1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPHARMA LTD (KY) 2023-06-07 EP disclosed
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 US disclosed
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-12-01 US disclosed
EP-4074697-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE Samjin Pharmaceutical Co., Ltd. (KR) 2022-10-19 EP disclosed
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2022-08-23 US disclosed
CN-114929675-A Novel adamantane derivatives as inhibitors of focal adhesion kinase 三进制药株式会社 2022-08-19 CN disclosed
CN-114042070-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-02-15 CN disclosed
CN-108137544-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-01-04 CN disclosed
US-10618886-B1 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2020-04-14 US disclosed
US-20200102289-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-04-02 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP 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 (9 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-20200102289-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 GPR119 119/4885PDE4B 1442/4885PDE4A 1279/4885
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK GPR119 2753/4885PDE4B 1200/4885PDE4A 1590/4885
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 GPR119 73/4885PDE4B 1287/4885PDE4A 1304/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK GPR119 2753/4885PDE4B 1200/4885PDE4A 1590/4885
US-10618886-B1 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 GPR119 119/4885PDE4B 1442/4885PDE4A 1279/4885
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 GPR119 119/4885PDE4B 1442/4885PDE4A 1279/4885
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 GPR119 2931/4885PDE4B 1494/4885PDE4A 1310/4885
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 GPR119 119/4885PDE4B 1442/4885PDE4A 1279/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS GPR119 365/4885PDE4B 305/4885PDE4A 809/4885

“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.