SCHEMBL3587177

SCHEMBL3587177

CCN(CC)CCN(CC=O)C(=O)CCOCCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MBTPS1 Q14703 1/20 0.39
CDYL Q9Y232 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC22A1 O15245 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
PRCP P42785 1/20 0.35
HTT P42858 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL1180543 0.85 ADRB2 (0.59) ADRB2CDYLKDM4ECHRM2CHRM1
SCHEMBL3592477 0.83 ADRB2 (0.40) ADRB2BCHEACHEMBTPS1CDYL
SCHEMBL1180557 0.81 ADRB2 (0.58) ADRB2
SCHEMBL3580545 0.79 ADRB2 (0.58) ADRB2CYP1A2SIGMAR1
SCHEMBL3590466 0.74 ADRB2 (0.82) ADRB2
SCHEMBL1180012 0.72 ADRB2 (0.58) ADRB2CDYLKDM4ECHRM2CHRM1
SCHEMBL12444308 0.72 ADRB2 (0.54) ADRB2CDYLKDM4E
SCHEMBL3590880 0.72 ADRB2 (0.54) ADRB2THRB
SCHEMBL3588896 0.72 MEN1 (0.47) ADRB2TDP1
SCHEMBL4456586 0.71 ADRB2 (0.55) ADRB2CDYLKDM4ECHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 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 (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 156/4885BCHE 3128/4885ACHE 2633/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885BCHE 3128/4885ACHE 2633/4885

“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.