SCHEMBL6743336

SCHEMBL6743336

CCOC(=O)C(C)(C)Oc1ccc(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.52
ADRB2 P07550 2/20 0.44
LMNA P02545 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
GALR3 O60755 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL6743329 1.00 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6743462 0.99 ADRB3 (0.53) ADRB3ADRB2LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6743458 0.99 ADRB3 (0.53) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL7248139 0.89 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6740676 0.89 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6740672 0.89 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6740973 0.85 ADRB2 (0.61) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6740965 0.85 ADRB2 (0.61) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL7867788 0.85 ADRB2 (0.61) ADRB3ADRB2LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6740864 0.84 ADRB3 (0.62) ADRB3ADRB2LMNASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790865-B2 2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENOXY OR IMINO)-2-METHYLPROPIONIC ACID DERIVATIVE EXCELLENT BETA 3-ADRENOCEPTOR STIMULANTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
EP-1072583-B1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-09-01 EP disclosed
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants KISSEI PHARMACEUTICAL CO., LTD. 2003-09-04 US disclosed
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 EP 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 (1 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-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants ADRB1, ADRB2, ADRA2A ADRB3 6/4885ADRB2 2/4885LMNA 3787/4885

“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.