SCHEMBL2747524

SCHEMBL2747524

CC(=Cc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.62
NR1H4 Q96RI1 1/20 0.55
MAOB P27338 3/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GSK3B P49841 2/20 0.51
BACE1 P56817 2/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
THRB P10828 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
SCHEMBL2747523 1.00 FBP1 (0.62) FBP1NR1H4MAOBRAB9ANPC1
SCHEMBL2747521 1.00 FBP1 (0.62) FBP1NR1H4MAOBRAB9ANPC1
SCHEMBL11215147 0.86 MAOB (0.55) FBP1MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL11215148 0.86 MAOB (0.55) FBP1MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL2748716 0.85 MAOB (0.63) FBP1MAOBKDM4EALDH1A1MEN1
SCHEMBL2748717 0.85 MAOB (0.63) FBP1MAOBKDM4EALDH1A1MEN1
SCHEMBL2748715 0.85 MAOB (0.63) FBP1MAOBKDM4EALDH1A1MEN1
SCHEMBL11213932 0.85 NR1H4 (0.57) NR1H4MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL11213931 0.85 NR1H4 (0.57) NR1H4MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL9627326 0.85 MAOB (0.58) FBP1MAOBRAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 US disclosed
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 WO disclosed
US-20030171435-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them DRUG ABUSE SCIENCES, INC. 2003-09-11 US disclosed
WO-2003061595-A2 ANTIBODIES AGAINST AND COMPOSITIONS CONTAINING NEW AMPHETAMINE DERIVATIVES DRUGABUSE SCIENCES S.A.S. (FR) 2003-07-31 WO disclosed
EP-1331219-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them Drug Abuse Sciences, Inc. (US) 2003-07-30 EP disclosed
EP-0023385-B1 ETHANAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-15 EP disclosed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US disclosed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 EP 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 (3 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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C FBP1 3388/4885NR1H4 130/4885MAOB 498/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 FBP1 2551/4885NR1H4 3166/4885MAOB 2894/4885
US-20030171435-A1 New amphetamine derivatives, antibodies against them and pharmaceutical compositions containing them TAAR5, CHAT, CES2 FBP1 4488/4885NR1H4 228/4885MAOB 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.