SCHEMBL6489526

SCHEMBL6489526

COCC(Cc1ccc(Oc2ccnc3ccccc23)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.49
ADRB3 P13945 12/20 0.49
ADRB2 P07550 3/20 0.44
CYP2D6 P10635 2/20 0.44
NR3C1 P04150 1/20 0.43
ADRA1A P35348 1/20 0.43
CYP2J2 P51589 1/20 0.43
PDE4D Q08499 1/20 0.43
CASR P41180 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6489528 1.00 ADRB1 (0.49) ADRB1ADRB3ADRB2CYP2D6NR3C1
SCHEMBL6479253 0.91 ADRB3 (0.56) ADRB1ADRB3ADRB2CYP2D6CASR
SCHEMBL6479255 0.91 ADRB3 (0.56) ADRB1ADRB3ADRB2CYP2D6CASR
SCHEMBL6480809 0.86 CASR (0.45) ADRB1ADRB3ADRB2CYP2D6CASR
SCHEMBL6532071 0.85 ADRB3 (0.59) ADRB1ADRB3CYP2D6CASRKMT2A
SCHEMBL6532063 0.85 ADRB3 (0.59) ADRB1ADRB3CYP2D6CASRKMT2A
SCHEMBL7687852 0.85 ADRB3 (0.59) ADRB1ADRB3ADRB2CASRKMT2A
SCHEMBL7692661 0.84 MEN1 (0.47) ADRB1ADRB3ADRB2CYP2D6CASR
SCHEMBL7839233 0.84 ADRB1 (0.42) ADRB1ADRB3ADRB2CYP2D6CASR
SCHEMBL6531342 0.82 ADRB3 (0.52) ADRB1ADRB3ADRB2CYP2D6CASR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US 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 (2 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB3 3/4885ADRB2 2/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885ADRB2 1/4885

“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.