SCHEMBL519168

SCHEMBL519168

O=[N+]([O-])c1ccc(OCCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
HRH3 Q9Y5N1 1/20 0.55
KCNH2 Q12809 6/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.53
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4937120 0.95 HRH3 (0.57) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL4743102 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL28180989 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL28180977 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL17971426 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL28180194 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL28180976 0.93 HRH3 (0.60) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL378659 0.91 KCNH2 (0.55) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL2480658 0.91 KCNH2 (0.55) DRD2DRD4DRD3HRH3KCNH2
SCHEMBL10737114 0.89 LSS (0.57) DRD2DRD4DRD3KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2016-01-07 US claimed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
US-20250270193-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS OHIO STATE INNOVATION FOUNDATION 2025-08-28 US disclosed
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2024-12-24 US disclosed
EP-3856719-B1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPHARMA LTD (KY) 2023-06-07 EP disclosed
WO-2023069613-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS OHIO STATE INNOVATION FOUNDATION (US) 2023-04-27 WO disclosed
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-12-01 US disclosed
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2022-08-23 US 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-112004802-B Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-12-28 CN disclosed
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed
US-4258045-A 2,4-DIAMINO-5-((ARYLALKOXY)BENZYL)-PYRIMIDINES AS ANTIBACTERIAL, ANTIPROTOZOAL AND ANTITUMOR AGENTS MERCK & CO., INC. (US) 1981-03-24 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 (6 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-20250270193-A1 ARYLIMIDAMIDES FOR USE IN TREATMENT OF CANCERS PAICS, ABL1, BCR DRD2 4782/4885DRD4 4734/4885DRD3 4797/4885
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 DRD2 507/4885DRD4 1120/4885DRD3 420/4885
US-20160002220-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 DRD2 505/4885DRD4 1311/4885DRD3 794/4885
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 DRD2 525/4885DRD4 1131/4885DRD3 395/4885
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 DRD2 525/4885DRD4 1131/4885DRD3 395/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 DRD2 546/4885DRD4 1517/4885DRD3 927/4885

“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.