SCHEMBL4740762

SCHEMBL4740762

NCCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.52
ADRB1 P08588 4/20 0.47
ABCB11 O95342 2/20 0.44
DRD2 P14416 2/20 0.44
PDE4A P27815 1/20 0.44
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42

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
Hydrochloric Acid SCHEMBL1179939 0.98 ADRB2 (0.51) ADRB2ADRB1ABCB11DRD2PDE4A
Bromide SCHEMBL1683003 0.98 ADRB2 (0.51) ADRB2ADRB1ABCB11DRD2PDE4A
Acetic Acid SCHEMBL4742751 0.93 ADRB2 (0.47) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL14291843 0.84 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL13133474 0.84 ADRB2 (0.52) ADRB2ADRB1DRD2
SCHEMBL4788200 0.84 ADRB2 (0.47) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL12119358 0.82 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL2818621 0.82 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL13225809 0.81 HTR2A (0.39) ADRB2ADRB1
SCHEMBL4555603 0.81 ADRB2 (0.49) ADRB2ADRB1ABCB11DRD2PDE4A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP disclosed
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
US-20010031876-A1 Novel process ASTRAZENECA AB 2001-10-18 US disclosed
EP-0558677-B1 BIOLOGICALLY ACTIVE AMINES ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
WO-2000050413-A1 NOVEL PROCESS OF PREPARING A BENZOTHIAZOLONE COMPOUND ASTRAZENECA AB (SE) 2000-08-31 WO disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed
US-5763465-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed
WO-1993023385-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1993-11-25 WO disclosed
EP-0558677-A1 BIOLOGICALLY ACTIVE AMINES Astra Pharmaceuticals Limited (GB) 1993-09-08 EP disclosed
WO-1992008708-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1992-05-29 WO disclosed
EP-0174811-A2 7-(2-aminoethyl)-1,3-Benzthia- or oxa- zol-2(3H) -ones SMITHKLINE BECKMAN CORPORATION (US) 1986-03-19 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 (4 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ADRB1 788/4885ABCB11 1533/4885
US-20010031876-A1 Novel process CYP3A4, CYP3A5, CYP11B2 ADRB2 773/4885ADRB1 500/4885ABCB11 857/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ABCB11 1088/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ADRB1 788/4885ABCB11 1533/4885

“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.