SCHEMBL2794411

SCHEMBL2794411

N#CCc1ccc(OCC(F)(F)COc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ APP P05067 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL2792188 0.89 MAOB (0.41) MAOBKMT2AGAAL3MBTL1LTA4H
SCHEMBL2795421 0.84 MAOB (0.38) MAOBKMT2AGAAL3MBTL1PIK3CD
SCHEMBL8594741 0.78 MAOB (0.59) MAOBKMT2AGAAL3MBTL1APP
SCHEMBL625835 0.77 LTA4H (0.55) KMT2AGAAL3MBTL1LTA4H
SCHEMBL2277105 0.76 MAOB (0.68) MAOBGAAL3MBTL1APPLTA4H
SCHEMBL2797931 0.76 LTA4H (0.38) MAOBGAAKCNA3LTA4H
SCHEMBL2794144 0.75 MAOB (0.55) MAOB
SCHEMBL2794517 0.75 LTA4H (0.37) MAOBL3MBTL1KCNA3LTA4H
SCHEMBL2794262 0.75 NPC1 (0.42) MAOBGAAL3MBTL1PIK3CDPIK3CA
SCHEMBL2796213 0.74 MAPT (0.47) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 — — US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 — — EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 — — US disclosed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 — — EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 — — 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 (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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C MAOB 514/4885KMT2A 2589/4885GAA 1818/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C MAOB 514/4885KMT2A 2589/4885GAA 1818/4885

“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.

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