SCHEMBL5144153

SCHEMBL5144153

COC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 1.00
ADRB2 P07550 11/20 1.00
ADRB1 P08588 8/20 1.00
GLA P06280 1/20 1.00
CYP2D6 P10635 2/20 0.83
ADRA1D P25100 1/20 0.83
ADRA1A P35348 1/20 0.83
ADRA1B P35368 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
CYP3A4 P08684 1/20 0.80
HIF1A Q16665 1/20 0.80
SLC2A1 P11166 4/20 0.73

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
SCHEMBL5144149 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL5144151 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL9006835 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL4611391 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL29460100 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL9317314 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Bromide SCHEMBL9799484 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1GLACYP2D6
Trifluoroacetic Acid SCHEMBL9318455 0.94 ADRB3 (0.89) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL9812022 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1GLACYP2D6
SCHEMBL9436811 0.91 ADRB3 (0.84) ADRB3ADRB2ADRB1GLACYP2D6

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-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP ADRB3 12/4885ADRB2 7/4885ADRB1 6/4885

“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.