SCHEMBL2747474

SCHEMBL2747474

O=CNc1cc([C@@H](O)CNCCc2cccc(OCCC34CC5CC(CC(C5)C3)C4)c2)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.61
EPHX2 P34913 4/20 0.43
ADRB3 P13945 8/20 0.42
ADRB1 P08588 7/20 0.42
FAAH O00519 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL2749295 0.93 ADRB2 (0.61) ADRB2EPHX2ADRB3ADRB1
SCHEMBL2747837 0.88 ADRB2 (0.46) ADRB2ADRB3ADRB1
SCHEMBL2748512 0.88 ADRB2 (0.73) ADRB2ADRB3ADRB1
SCHEMBL2747476 0.88 ADRB2 (0.47) ADRB2EPHX2ADRB3ADRB1FAAH
SCHEMBL2748440 0.85 ADRB2 (0.44) ADRB2EPHX2ADRB3ADRB1FAAH
SCHEMBL2827699 0.82 ADRB2 (0.63) ADRB2ADRB3ADRB1
SCHEMBL2749296 0.81 EPHX2 (0.53) ADRB2EPHX2ADRB3ADRB1FAAH
SCHEMBL2794133 0.80 ADRB2 (0.60) ADRB2ADRB3ADRB1
SCHEMBL2794134 0.80 ADRB2 (0.60) ADRB2ADRB3ADRB1
SCHEMBL2747615 0.80 ADRB2 (0.52) ADRB2EPHX2ADRB1

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 ADRB2 1/4885EPHX2 598/4885ADRB3 4/4885

“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.