SCHEMBL2211074

SCHEMBL2211074

NC(=O)CCN(CCc1ccccc1)CCN(CCc1ccc(O)c2[nH]c(=O)sc12)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.45
ADRB1 P08588 2/20 0.41
DRD3 P35462 1/20 0.41
ABCB11 O95342 1/20 0.41
DRD2 P14416 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL2213690 0.99 ADRB2 (0.44) ADRB2ADRB1DRD3ABCB11DRD2
SCHEMBL2210688 0.99 ADRB2 (0.44) ADRB2ADRB1DRD3ABCB11DRD2
Bromide SCHEMBL2213610 0.98 ADRB2 (0.44) ADRB2ADRB1DRD3ABCB11DRD2
Benzoic Acid SCHEMBL2211864 0.95 ADRB2 (0.42) ADRB2ADRB1DRD3ABCB11DRD2
Trifluoroacetic Acid SCHEMBL2209065 0.95 ADRB2 (0.42) ADRB2ADRB1DRD3ABCB11DRD2
Trifluoroacetic Acid SCHEMBL2214100 0.95 ADRB2 (0.41) ADRB2ADRB1DRD3ABCB11DRD2
Trifluoroacetic Acid SCHEMBL2209414 0.95 ADRB2 (0.41) ADRB2ADRB1DRD3ABCB11DRD2
SCHEMBL2211910 0.93 ADRB2 (0.38) ADRB2ADRB1
SCHEMBL2209699 0.92 ADRB2 (0.46) ADRB2ADRB1ABCB11DRD2PDE4A
SCHEMBL2209082 0.92 ADRB2 (0.39) ADRB2ADRB1DRD3

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-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 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 1549/4885ADRB1 788/4885DRD3 1363/4885
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 2/4885DRD3 385/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ADRB1 788/4885DRD3 1363/4885

“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.