SCHEMBL2566058

SCHEMBL2566058

CNCc1cccc(SC2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 7/20 0.44
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
CARM1 Q86X55 1/20 0.41
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
NOS1 P29475 1/20 0.39
EPHX2 P34913 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ATM Q13315 2/20 0.37
CXCR4 P61073 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL5213250 0.79 MAOA (0.42) PRMT6MAOAMAOBCARM1ALDH1A1
SCHEMBL925026 0.79 DDB1 (0.52) MAOAMAOBDDB1CRBNATM
SCHEMBL2566062 0.76 HTR6 (0.54) MAOAMAOBHTR7NOS1
SCHEMBL19890876 0.75 MAOA (0.55) PRMT6MAOAMAOBCARM1ALDH1A1
SCHEMBL2680504 0.74 MAPT (0.50) PRMT6HTR7ALDH1A1KDM4ECYP3A4
SCHEMBL5443011 0.74 AKR1B1 (0.43) MAOAMAOBEPHX2DDB1CRBN
SCHEMBL15271043 0.73 DDB1 (0.49) MAOAMAOBDDB1CRBNATM
SCHEMBL30288394 0.71 DDB1 (0.55) MAOAMAOBDDB1CRBN
SCHEMBL5316906 0.71 DDB1 (0.48) MAOAMAOBDDB1CRBNATM
SCHEMBL15271099 0.71 DDB1 (0.48) MAOAMAOBDDB1CRBNATM

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 PRMT6 2359/4885MAOA 137/4885MAOB 76/4885

“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.