SCHEMBL6532063

SCHEMBL6532063

COc1ccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.59
ADRB1 P08588 9/20 0.59
CASR P41180 3/20 0.44
KMT2A Q03164 1/20 0.42
MET P08581 4/20 0.41
CYP2D6 P10635 1/20 0.41
IGF1R P08069 1/20 0.41
KDR P35968 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
SCHEMBL6532071 1.00 ADRB3 (0.59) ADRB3ADRB1CASRKMT2AMET
SCHEMBL7687852 0.93 ADRB3 (0.59) ADRB3ADRB1CASRKMT2AMET
SCHEMBL6533443 0.90 ADRB3 (0.52) ADRB3ADRB1METCYP2D6KDR
SCHEMBL6533448 0.90 ADRB3 (0.52) ADRB3ADRB1METCYP2D6KDR
SCHEMBL7692570 0.90 ADRB3 (0.54) ADRB3ADRB1KMT2AMETCYP2D6
SCHEMBL7693517 0.89 ADRB3 (0.53) ADRB3ADRB1METCYP2D6KDR
SCHEMBL6479253 0.89 ADRB3 (0.56) ADRB3ADRB1CASRKMT2ACYP2D6
SCHEMBL6479255 0.89 ADRB3 (0.56) ADRB3ADRB1CASRKMT2ACYP2D6
SCHEMBL6479456 0.88 ADRB3 (0.58) ADRB3ADRB1MET
SCHEMBL6479461 0.88 ADRB3 (0.58) ADRB3ADRB1MET

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-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
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (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 ADRB3 3/4885ADRB1 1/4885CASR 1910/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885CASR 1137/4885

“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.