SCHEMBL2572145

SCHEMBL2572145

CN(CCOCCCCCCN)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.52
PYCR1 P32322 1/20 0.52
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
LMNA P02545 4/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
KCNH2 Q12809 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL2563745 0.81 ACHE (0.56) ACHE
SCHEMBL2566701 0.78 ACHE (0.46) ACHETSHRSMN1; SMN2KDM4EMEN1
SCHEMBL13909718 0.77 CARM1 (0.62) ACHELMNATSHRSMN1; SMN2SIGMAR1
SCHEMBL2572147 0.77 CHRM2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2565853 0.76 ACHE (0.42) ACHE
SCHEMBL6255009 0.75 TSHR (0.51) LMNATSHRMAPTHTR1AADRA1A
Hydrochloric Acid SCHEMBL7602418 0.74 LMNA (0.67) ACHEPYCR1CYP1A2CYP2D6CYP2C9
SCHEMBL2563265 0.73 ACHE (0.38) ACHETSHRSMN1; SMN2SIGMAR1
SCHEMBL2571629 0.73 KDM4E (0.41) ACHELMNATSHRMAPTNPC1
SCHEMBL2568319 0.73 ADRB2 (0.42) ACHECYP2D6CYP3A4TSHRHTR1A

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 4 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
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 1697/4885PYCR1 1189/4885CYP1A2 282/4885

“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.