SCHEMBL3592477

SCHEMBL3592477

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.36
CDYL Q9Y232 1/20 0.35
MC4R P32245 1/20 0.35
MBTPS1 Q14703 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP51A1 Q16850 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL1179648 0.86 ADRB2 (0.53) ADRB2KDM4ECDYLCYP1A2CYP2D6
SCHEMBL3587177 0.83 ADRB2 (0.44) ADRB2BCHEACHEKDM4ECDYL
SCHEMBL1179225 0.82 ADRB2 (0.53) ADRB2TAAR1
SCHEMBL3587193 0.80 ADRB2 (0.53) ADRB2BCHEKDM4EMC4RCYP1A2
SCHEMBL12193241 0.77 ADRB2 (0.54) ADRB2KDM4ECDYLMC4RCYP1A2
SCHEMBL12193249 0.73 ADRB2 (0.54) ADRB2
SCHEMBL14103578 0.73 ADRB2 (0.50) ADRB2KDM4ECDYL
SCHEMBL1180012 0.71 ADRB2 (0.58) ADRB2KDM4ECDYLCYP1A2CYP2D6
SCHEMBL4456586 0.70 ADRB2 (0.55) ADRB2KDM4ECDYLCYP1A2CYP2D6
SCHEMBL1180543 0.69 ADRB2 (0.59) ADRB2KDM4ECDYLCYP1A2CYP2D6

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 9 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-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 156/4885BCHE 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.