SCHEMBL2563265

SCHEMBL2563265

CN(CCOCCCCCCN)Cc1cccc([S+]([O-])C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
TSHR P16473 1/20 0.36
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT1 Q99873 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
BCHE P06276 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL2563475 0.82 ACHE (0.51) ACHE
SCHEMBL2568319 0.76 ADRB2 (0.42) ACHETSHRCARM1PRMT6PRMT8
SCHEMBL13909718 0.73 CARM1 (0.62) ACHETSHRCARM1PRMT6PRMT8
SCHEMBL2572145 0.73 ACHE (0.52) ACHETSHRSMN1; SMN2SIGMAR1
SCHEMBL2566701 0.72 ACHE (0.46) ACHETSHRSMN1; SMN2BCHE
SCHEMBL2565853 0.69 ACHE (0.42) ACHEBCHE
SCHEMBL2571629 0.69 KDM4E (0.41) ACHETSHRCARM1PRMT6PRMT8
SCHEMBL9301536 0.69 CARM1 (0.64) ACHETSHRCARM1PRMT6PRMT8
SCHEMBL5431274 0.67 LMNA (0.33)
SCHEMBL2570305 0.67 ADRB2 (0.42) ACHETSHRCARM1PRMT6PRMT8

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 1697/4885TSHR 229/4885CARM1 3088/4885

“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.