SCHEMBL3435673

SCHEMBL3435673

NCC=Cc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.53
IDO1 P14902 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AOC3 Q16853 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ATP6V1B1 P15313 1/20 0.43

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
SCHEMBL2458423 0.82 CYP2A6 (0.69) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL2458425 0.82 CYP2A6 (0.69) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL6364565 0.82 CYP2A6 (0.55) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL30721683 0.82 CYP2A6 (0.55) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL6157432 0.82 CYP2A6 (0.55) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL6364563 0.82 CYP2A6 (0.55) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL10105480 0.82 CYP2A6 (0.55) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL9471072 0.81 CYP2A6 (0.62) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL15359580 0.79 CYP2A6 (0.64) CYP2A6MAPK1MAPTIDO1NPSR1
SCHEMBL287209 0.77 CYP2A6 (0.49) CYP2A6MAPK1MAPTIDO1NPSR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7267913-A None JP disclosed
EP-1755581-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY LOCAL HEALTH DISTR (AU) 2015-07-15 EP disclosed
WO-2010035154-A1 RECOMBINANT PROTEINS OF EPOXIDE HYDROLASE (EH) FROM PEACH FONDAZIONE PARCO TECNOLOGICO PADANO (IT) 2010-04-01 WO disclosed
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides OXYRANE (UK) LIMITED (GB) 2009-11-05 US disclosed
US-20080249176-A1 Methods and Compositions for the Treatment of Myocardial Conditions UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2008-10-09 US disclosed
EP-1755581-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY AND CENTRAL CO (AU) 2008-01-02 EP disclosed
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides OXYRANE UK LIMITED (GB) 2007-12-06 US disclosed
CN-1946389-A Methods and compositions for treating myocardial disease NORTHERN SYDNEY AND CENTRAL CO (AU) 2007-04-11 CN disclosed
EP-1756281-A2 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2007-02-28 EP disclosed
EP-1755581-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS Northern Sydney and Central Coast Area Health Service (AU) 2007-02-28 EP disclosed
WO-2005102304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY AND CENTRAL COAST AREA HEALTH SERVICE (AU) 2005-11-03 WO disclosed
WO-2005100569-A2 METHODS FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2005-10-27 WO disclosed
JP-H07267913-A PREPARATION OF SUBSTITUTED PHENYLHYDRAZONE MERCK PATENT GMBH 1995-10-17 JP disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 US disclosed
US-4234595-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS; VASODILATION MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 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-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides EPHX2, EPHX1, DERA CYP2A6 900/4885MAPK1 4536/4885MAPT 4590/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 CYP2A6 775/4885MAPK1 3099/4885MAPT 4473/4885

“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.