SCHEMBL6533448

SCHEMBL6533448

OCC(Cc1ccc(Oc2ccnc3cc(Cl)ccc23)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.52
ADRB1 P08588 11/20 0.52
APP P05067 2/20 0.42
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 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
SCHEMBL6533443 1.00 ADRB3 (0.52) ADRB3ADRB1APPCYP3A4MAPK1
SCHEMBL6532071 0.90 ADRB3 (0.59) ADRB3ADRB1CYP2D6KDRMET
SCHEMBL7692570 0.90 ADRB3 (0.54) ADRB3ADRB1CYP2D6KDRADRB2
SCHEMBL6532063 0.90 ADRB3 (0.59) ADRB3ADRB1CYP2D6KDRMET
SCHEMBL6479253 0.89 ADRB3 (0.56) ADRB3ADRB1CYP2D6ALDH1A1ADRB2
SCHEMBL6479255 0.89 ADRB3 (0.56) ADRB3ADRB1CYP2D6ALDH1A1ADRB2
SCHEMBL6479461 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2MET
SCHEMBL6479456 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2MET
SCHEMBL7687376 0.87 ADRB3 (0.49) ADRB3ADRB1MAPK1CYP2D6KDR
SCHEMBL6490059 0.87 ADRB3 (0.53) ADRB3ADRB1ADRA1AADRB2MET

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 1/4885APP 2948/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885APP 2352/4885

“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.