SCHEMBL6480809

SCHEMBL6480809

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.45
ADRB3 P13945 9/20 0.43
ADRB1 P08588 8/20 0.43
CYP2D6 P10635 2/20 0.43
ADRB2 P07550 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6489526 0.86 ADRB1 (0.49) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL6489528 0.86 ADRB1 (0.49) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL6479253 0.85 ADRB3 (0.56) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL6479255 0.85 ADRB3 (0.56) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL7839233 0.81 ADRB1 (0.42) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL7692661 0.80 MEN1 (0.47) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL7037442 0.79 CASR (0.52) CASRADRB3ADRB1CYP2D6ADRB2
Hydrochloric Acid SCHEMBL7041984 0.79 ADRB3 (0.59) CASRADRB3ADRB1CYP2D6ADRB2
SCHEMBL7687852 0.77 ADRB3 (0.59) CASRADRB3ADRB1ADRB2KMT2A
SCHEMBL6532071 0.77 ADRB3 (0.59) CASRADRB3ADRB1CYP2D6KMT2A

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 CASR 1910/4885ADRB3 3/4885ADRB1 1/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 CASR 1137/4885ADRB3 3/4885ADRB1 2/4885

“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.