SCHEMBL2566701

SCHEMBL2566701

CN(CCOCCCCCCN)Cc1cccc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MEP1B Q16820 1/20 0.43
BCHE P06276 1/20 0.40
AOC3 Q16853 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
BRD3 Q15059 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2565853 0.83 ACHE (0.42) ACHEBCHE
SCHEMBL2563423 0.82 ACHE (0.56) ACHE
SCHEMBL2569631 0.81 MTNR1A (0.52)
SCHEMBL2565623 0.79 MTNR1A (0.52)
SCHEMBL13909718 0.78 CARM1 (0.62) ACHESMN1; SMN2TSHR
SCHEMBL2572145 0.78 ACHE (0.52) ACHESMN1; SMN2TSHRKDM4EMEN1
SCHEMBL2568319 0.74 ADRB2 (0.42) ACHETSHRKDM4E
SCHEMBL2571629 0.74 KDM4E (0.41) ACHESMN1; SMN2TSHRKDM4EMEN1
SCHEMBL9301536 0.74 CARM1 (0.64) ACHESMN1; SMN2TSHR
SCHEMBL2570305 0.73 ADRB2 (0.42) ACHEBCHETSHR

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 1697/4885SMN1; SMN2 3486/4885MEP1B 1821/4885

“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.