SCHEMBL2748151

SCHEMBL2748151

NCCc1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
EPHX2 P34913 3/20 0.42

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
SCHEMBL2748297 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL2748689 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL16621119 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL2748916 0.82 TAAR1 (0.49) MEN1KMT2AMAOBTAAR1
SCHEMBL2748283 0.76 EPHX2 (0.60) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL16628135 0.76 DHFR (0.46) MEN1KMT2AEPHX2
SCHEMBL1283337 0.73 SCN9A (0.39) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL4058195 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL420844 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1EPHX2
SCHEMBL9432513 0.72 MAPT (0.63) MEN1KMT2AALDH1A1

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 MEN1 4802/4885KMT2A 2330/4885ALDH1A1 497/4885

“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.