SCHEMBL72014

SCHEMBL72014

[CH2]CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PTGS2 P35354 2/20 0.53
LTA4H P09960 1/20 0.53
PTGS1 P23219 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7475821 0.91 DRD2 (0.58) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL367677 0.89 HRH3 (0.57) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL6228523 0.88 MAPT (0.65) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL8778568 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL3024482 0.87 HRH3 (0.60) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL9570575 0.86 DRD2 (0.65) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL9654053 0.84 HRH3 (0.54) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL9570561 0.84 HRH3 (0.69) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL5390369 0.84 HRH3 (0.69) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL535260 0.84 LMNA (0.54) KCNH2DRD2DRD4DRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 CN claimed
CN-108084179-A A kind of compound with spirane structure, its preparation method and application 上海医药工业研究院 2018-05-29 CN claimed
CN-101171009-A Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine h3- receptor ligands BIOPROJET SOC CIV (FR) 2008-04-30 CN claimed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
US-4689411-A ANTIBIOTICS OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1987-08-25 US claimed
US-4603014-A Thiazolinoazetidinone derivatives and process for the preparation of the same OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-07-29 US claimed
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-3856719-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2021-08-04 EP disclosed
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 CN disclosed
CN-112004802-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 2020-11-27 CN 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-4482491-A CHEMICAL INTERMEDIATES FOR CEPHALOSPORIN OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1984-11-13 US disclosed
US-4464237-A ELECTROLYZING AZETIDINONE DERIVATIVES, CEPHALOSPORIN OR PENICILLIN INTERMEDIATES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1984-08-07 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-4108663-A MULTILAYER FUJI PHOTO FILM CO., LTD. (JP) 1978-08-22 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 (2 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-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 KCNH2 2258/4885DRD2 699/4885DRD4 1460/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 KCNH2 3/4885DRD2 1604/4885DRD4 1457/4885

“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.