SCHEMBL1799798

SCHEMBL1799798

COc1ccccc1CN(CCc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
PTGES O14684 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
BCHE P06276 3/20 0.39
APP P05067 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1801270 0.93 HDAC1 (0.43) ACHEPTGESITGA4ITGB7MEN1
SCHEMBL1797802 0.92 PTGES (0.48) ACHEPTGESITGA4ITGB7PTGDR2
SCHEMBL1799921 0.92 ITGA4 (0.43) ACHEITGA4ITGB7MEN1KMT2A
SCHEMBL1800074 0.84 HDAC1 (0.42) ITGA4ITGB7BCHEHPGD
SCHEMBL1800052 0.84 HDAC3 (0.46) ACHEPTGESITGA4ITGB7PTGDR2
SCHEMBL1801179 0.83 LPAR1 (0.43) PTGDR2MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1798552 0.83 HDAC1 (0.41) CYP4F2CYP4A11BCHE
SCHEMBL1802321 0.82 HDAC1 (0.39) PTGESITGA4ITGB7MEN1KMT2A
SCHEMBL1798300 0.82 HDAC1 (0.42) PTGESL3MBTL1CYP4F2CYP4A11ALDH1A1
SCHEMBL1800444 0.81 HDAC1 (0.42) PTGESL3MBTL1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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 (1 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ACHE 2061/4885PTGES 1039/4885ITGA4 1460/4885

“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.