SCHEMBL6493585

SCHEMBL6493585

O=[N+]([O-])c1ccc2nccc(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.59
ADRB1 P08588 12/20 0.59
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB2 P07550 2/20 0.40
PDGFRA P16234 2/20 0.40
KDR P35968 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6531342 0.87 ADRB3 (0.52) ADRB3ADRB1ALDH1A1ADRB2MEN1
SCHEMBL6531335 0.87 ADRB3 (0.52) ADRB3ADRB1ALDH1A1ADRB2MEN1
SCHEMBL7687852 0.86 ADRB3 (0.59) ADRB3ADRB1ADRB2KMT2A
SCHEMBL6479253 0.86 ADRB3 (0.56) ADRB3ADRB1ALDH1A1ADRB2MEN1
SCHEMBL6479255 0.86 ADRB3 (0.56) ADRB3ADRB1ALDH1A1ADRB2MEN1
SCHEMBL7691890 0.83 ADRB3 (0.51) ADRB3ADRB1ADRB2PDGFRAKDR
SCHEMBL6539169 0.83 ADRB1 (0.72) ADRB3ADRB1ALDH1A1PKMMAPK1
SCHEMBL6479456 0.81 ADRB3 (0.58) ADRB3ADRB1ADRB2PDGFRA
SCHEMBL6479461 0.81 ADRB3 (0.58) ADRB3ADRB1ADRB2PDGFRA
SCHEMBL6533443 0.81 ADRB3 (0.52) ADRB3ADRB1ALDH1A1MAPK1ADRB2

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 1/4885ALDH1A1 275/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ALDH1A1 578/4885

“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.