SCHEMBL6742500

SCHEMBL6742500

C[C@H](NCCc1ccc(OC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.67
LMNA P02545 2/20 0.67
HIF1A Q16665 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
OPRM1 P35372 2/20 0.67
ADRB1 P08588 2/20 0.67
CYP2D6 P10635 1/20 0.67
GALR3 O60755 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRK1 P41145 1/20 0.67
SLC6A3 Q01959 1/20 0.67
ADRB3 P13945 9/20 0.65
TMEM97 Q5BJF2 1/20 0.65
SIGMAR1 Q99720 1/20 0.65

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
SCHEMBL6742504 1.00 ADRB2 (0.67) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7867788 0.87 ADRB2 (0.61) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL6740973 0.87 ADRB2 (0.61) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL6740965 0.87 ADRB2 (0.61) ADRB2LMNAHIF1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7871224 0.86 ADRB3 (0.62) ADRB2LMNAHIF1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6740856 0.86 ADRB3 (0.62) ADRB2LMNAHIF1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6740864 0.86 ADRB3 (0.62) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7111823 0.84 ADRB3 (0.60) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL6742912 0.84 ADRB3 (0.60) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL6742906 0.84 ADRB3 (0.60) ADRB2LMNAHIF1ASLC6A2SLC6A4

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 ADRB2 2/4885LMNA 3787/4885HIF1A 2250/4885

“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.