SCHEMBL2565853

SCHEMBL2565853

CN(CCOCCCCCCN)Cc1cccc(NC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.42
HDAC3 O15379 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ADRB2 P07550 4/20 0.42
ADRB1 P08588 4/20 0.42
ADRB3 P13945 4/20 0.42
IKBKB O14920 1/20 0.39
BCHE P06276 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL2564456 0.83 ACHE (0.53) ACHEMAOB
SCHEMBL2566701 0.83 ACHE (0.46) ACHEBCHE
SCHEMBL2565849 0.79 ADRB2 (0.50) ACHEADRB2ADRB1ADRB3BCHE
SCHEMBL13909718 0.76 CARM1 (0.62) ACHE
SCHEMBL2572145 0.76 ACHE (0.52) ACHE
SCHEMBL9381846 0.74 KDM1A (0.52) HDAC3MAOAMAOBHDAC1HDAC2
SCHEMBL2571629 0.74 KDM4E (0.41) ACHE
SCHEMBL5451323 0.72 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL2568319 0.72 ADRB2 (0.42) ACHEADRB2ADRB1ADRB3
SCHEMBL9301536 0.71 CARM1 (0.64) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 1697/4885HDAC3 3425/4885MAOA 137/4885

“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.