SCHEMBL2563475

SCHEMBL2563475

CN(CCOCCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc([S+]([O-])C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.51
MAOB P27338 5/20 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
SCHEMBL2563265 0.82 ACHE (0.38) ACHE
SCHEMBL2565318 0.81 ACHE (0.52) ACHEMAOB
SCHEMBL2566205 0.80 ACHE (0.52) ACHEMAOB
SCHEMBL2563745 0.78 ACHE (0.56) ACHEMAOB
SCHEMBL2563423 0.77 ACHE (0.56) ACHEMAOB
SCHEMBL2563631 0.75 ACHE (0.52) ACHEMAOB
SCHEMBL2564456 0.74 ACHE (0.53) ACHEMAOB
SCHEMBL2560229 0.74 ACHE (0.52) ACHEMAOB
SCHEMBL2570222 0.73 ACHE (0.60) ACHEMAOB
SCHEMBL2563909 0.72 ACHE (0.54) ACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382191-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories, Inc. (US) 2011-11-02 EP disclosed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
WO-2010083264-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ACHE 1697/4885MAOB 76/4885

“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.