SCHEMBL2565307

SCHEMBL2565307

NCCCCCCOCCCC(N)Cc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 0.32
MC3R P41968 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL15614684 0.77 ADRB2 (0.45) TAAR1KDM4EPOLBMLNRNR1I2
SCHEMBL2565305 0.71 KDM4E (0.51) TAAR1KDM4EPOLBMLNRNR1I2
SCHEMBL2511832 0.70 TAAR1 (0.50) TAAR1SLC6A2HTR2ASLC6A4ADRA1A
SCHEMBL2565302 0.70 HPGD (0.40) TAAR1KDM4EPOLBCYP3A4CYP1A2
SCHEMBL15614733 0.68 ADRB2 (0.49) TAAR1KDM4EPOLBMLNRNR1I2
SCHEMBL2670021 0.66 S1PR2 (0.51) TDP1
SCHEMBL7651165 0.66 TAAR1 (0.43) TAAR1SLC6A2HTR2ASLC6A4ADRA1A
SCHEMBL7651167 0.66 TAAR1 (0.43) TAAR1SLC6A2HTR2ASLC6A4ADRA1A
SCHEMBL16247188 0.65 MMP2 (0.46)
SCHEMBL16429325 0.65 MMP2 (0.46)

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 TAAR1 57/4885KDM4E 3289/4885POLB 2185/4885

“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.