SCHEMBL4086184

SCHEMBL4086184

O=C(O)C(CCBr)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
TBXAS1 P24557 2/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GLS O94925 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
SCHEMBL8582632 1.00 CYP2C19 (0.53) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL8588249 0.88 CYP2C19 (0.50) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL8588247 0.88 CYP2C19 (0.50) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL30371912 0.87 CYP2C19 (0.61) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL6478880 0.86 TBXAS1 (0.51) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL8584497 0.86 TBXAS1 (0.51) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL28581228 0.85 TBXAS1 (0.54) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL76635 0.83 CYP2C19 (0.57) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL14360139 0.81 TBXAS1 (0.60) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL819393 0.81 CYP2C19 (0.55) CYP2C19CYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521404-A Furanvinylalcohol elastomer based on straw and preparation method thereof 中国科学院长春应用化学研究所 2022-12-27 CN disclosed
CN-108752510-B Iron-catalyzed AGET ATRP system in biomass-based solvent under ligand-free condition and polymerization method 安徽工程大学 2020-05-19 CN disclosed
CN-104011043-B The quinuclidine esters of 1-aza heterocycles guanidine-acetic acid, their preparation method and Pharmaceutical composition thereof as muscarine antagonist 奇斯药制品公司 2016-11-16 CN disclosed
CN-106029640-A Pyrazolone compounds and uses thereof 因森普深2公司 2016-10-12 CN disclosed
CN-102947300-B Alkaloid amino ester derivative and pharmaceutical composition thereof 奇斯药制品公司 2016-09-21 CN disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
EP-0782574-B1 BICYCLIC CARBOXAMIDES AS 5-HT1A RECEPTORS LIGANDS WYETH JOHN & BROTHER LTD (GB) 2002-03-27 EP disclosed
US-5543419-A TREATING CHRONIC OBSTRUCTIVE AIRWAYS DISEASE OR ASTHMA; ANTIMUSCARINIC BRONCHODILATOR AGENTS PFIZER INC (US) 1996-08-06 US disclosed
WO-1996009302-A1 BICYCLIC CARBOXAMIDES AS 5-HT1A ANTAGONISTS JOHN WYETH & BROTHER LTD. (GB) 1996-03-28 WO disclosed
EP-0687257-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1995-12-20 EP disclosed
EP-0672039-A1 PROCESS FOR THE PREPARATION OF -g(a)-ARYL--g(g)-BUTYROLACTONES. WYETH JOHN & BROTHER LTD (GB) 1995-09-20 EP disclosed
WO-1994020481-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-15 WO disclosed
EP-0603229-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1994-06-29 EP disclosed
WO-1994012487-A1 PROCESS FOR THE PREPARATION OF α-ARYL-η-BUTYROLACTONES JOHN WYETH & BROTHER LIMITED (GB) 1994-06-09 WO disclosed
CN-1087622-A The application of cyclohexane derivant, its preparation method and the treatment disease that replaces HOECHST AG (DE) 1994-06-08 CN disclosed
CN-1070911-A The treatment compound PFIZER (US) 1993-04-14 CN disclosed
WO-1993006098-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1993-04-01 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 (1 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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CYP2C19 570/4885CYP2D6 182/4885SRC 2322/4885

“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.