SCHEMBL2747423

SCHEMBL2747423

C[C@H](N)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.65
MAOB P27338 4/20 0.60
SLC6A2 P23975 2/20 0.58
MAOA P21397 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
BCHE P06276 5/20 0.57
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL2747426 1.00 TAAR1 (0.65) TAAR1MAOBSLC6A2MAOASLC6A4
SCHEMBL21583868 1.00 TAAR1 (0.65) TAAR1MAOBSLC6A2MAOASLC6A4
SCHEMBL30211131 1.00 TAAR1 (0.65) TAAR1MAOBSLC6A2MAOASLC6A4
SCHEMBL321092 0.88 MAOB (0.62) MAOBMAOABCHECYP4F2CYP4A11
SCHEMBL25480447 0.85 MAOB (0.63) TAAR1MAOBMAOABCHECYP4F2
SCHEMBL17386027 0.85 CYP4F2 (0.59) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL6624802 0.85 CYP4F2 (0.59) MAOBBCHECYP4F2CYP4A11KMT2A
SCHEMBL2750285 0.85 LTA4H (0.67) TAAR1MAOBSLC6A2MAOASLC6A4
SCHEMBL12532788 0.85 LTA4H (0.67) TAAR1MAOBSLC6A2MAOASLC6A4
SCHEMBL2750286 0.85 LTA4H (0.67) TAAR1MAOBSLC6A2MAOASLC6A4

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
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

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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C TAAR1 76/4885MAOB 498/4885SLC6A2 173/4885

“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.