SCHEMBL2749296

SCHEMBL2749296

NC(=O)c1cc([C@@H](O)CNCCc2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
ADRB2 P07550 7/20 0.47
FAAH O00519 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ADRB1 P08588 3/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
ADRB3 P13945 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 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
SCHEMBL2747476 0.93 ADRB2 (0.47) EPHX2ADRB2FAAHCNR1CNR2
SCHEMBL2749295 0.88 ADRB2 (0.61) EPHX2ADRB2ADRB1DRD2DRD1
SCHEMBL2747615 0.87 ADRB2 (0.52) EPHX2ADRB2ADRB1
SCHEMBL2748296 0.86 ADRB2 (0.49) EPHX2ADRB2ADRB1DRD3ADRB3
SCHEMBL2748419 0.86 EPHX2 (0.46) EPHX2ADRB2FAAHCNR1CNR2
SCHEMBL2747839 0.82 ADRB2 (0.43) EPHX2ADRB2FAAHCNR1CNR2
SCHEMBL2748515 0.81 ADRB2 (0.52) ADRB2ADRB1DRD3ADRB3KDM4E
SCHEMBL2747474 0.81 ADRB2 (0.61) EPHX2ADRB2FAAHCNR2ADRB1
SCHEMBL2748442 0.80 EPHX2 (0.39) EPHX2ADRB2FAAHCNR1CNR2
SCHEMBL2796159 0.79 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4EGAA

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 EPHX2 598/4885ADRB2 1/4885FAAH 1060/4885

“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.