SCHEMBL3590937

SCHEMBL3590937

CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccc(Cl)cc1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.86

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
Bromide SCHEMBL3579183 0.99 ADRB2 (0.85) ADRB2
SCHEMBL3585203 0.94 ADRB2 (0.88) ADRB2
SCHEMBL3592448 0.92 ADRB2 (1.00) ADRB2
SCHEMBL3586438 0.92 ADRB2 (0.83) ADRB2
Bromide SCHEMBL3589861 0.91 ADRB2 (0.82) ADRB2
SCHEMBL185818 0.91 ADRB2 (1.00) ADRB2
Bromide SCHEMBL524636 0.91 ADRB2 (0.99) ADRB2
SCHEMBL3593675 0.89 ADRB2 (0.71) ADRB2
SCHEMBL3590466 0.89 ADRB2 (0.82) ADRB2
SCHEMBL3592488 0.89 ADRB2 (0.81) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US claimed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US claimed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885

“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.