SCHEMBL2213530

SCHEMBL2213530

CC(C)(C)CN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)CCC(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.53

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
Trifluoroacetic Acid SCHEMBL2211285 0.96 ADRB2 (0.51) ADRB2
SCHEMBL2211806 0.93 ADRB2 (0.51) ADRB2
SCHEMBL2212468 0.92 ADRB2 (0.50) ADRB2
Acetic Acid SCHEMBL2206575 0.91 ADRB2 (0.51) ADRB2
SCHEMBL2213107 0.91 ADRB2 (0.60) ADRB2
SCHEMBL2213341 0.89 ADRB2 (0.53) ADRB2
Trifluoroacetic Acid SCHEMBL2209715 0.88 ADRB2 (0.47) ADRB2
Trifluoroacetic Acid SCHEMBL2206570 0.87 ADRB2 (0.56) ADRB2
SCHEMBL2206746 0.86 ADRB2 (0.55) ADRB2
SCHEMBL2213505 0.85 ADRB2 (0.48) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7700782-B2 Compounds 569 ASTRAZENECA AB (SE) 2010-04-20 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
EP-2114944-A2 TETRAHYDROBIOPTERIN PRODRUGS BioMarin Pharmaceutical Inc. (US) 2009-11-11 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008089008-A2 TETRAHYDROBIOPTERIN PRODRUGS BIOMARIN PHARMACEUTICAL INC. (US) 2008-07-24 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 (3 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 1549/4885
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 1/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885

“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.