SCHEMBL1798552

SCHEMBL1798552

COCOc1ccccc1CCN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
SSTR4 P31391 1/20 0.36
BCHE P06276 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ABCB1 P08183 4/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL1802321 0.92 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1801270 0.90 HDAC1 (0.43) HDAC1BCHEHDAC3HDAC2NCOR2
SCHEMBL1799921 0.83 ITGA4 (0.43) BCHECYP4F2CYP4A11ABCB1
SCHEMBL1800444 0.83 HDAC1 (0.42) HDAC1SSTR4HDAC3HDAC2NCOR2
SCHEMBL1799798 0.83 ACHE (0.43) BCHECYP4F2CYP4A11
SCHEMBL1801846 0.83 HDAC1 (0.42) HDAC1SSTR4HDAC3HDAC2NCOR2
SCHEMBL1802465 0.83 HDAC1 (0.42) HDAC1SSTR4HDAC3HDAC2NCOR2
SCHEMBL1800114 0.82 CYP4F2 (0.42) HDAC1SSTR4HDAC3HDAC2NCOR2
SCHEMBL1798300 0.82 HDAC1 (0.42) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1797802 0.81 PTGES (0.48) HDAC1BCHEHDAC3HDAC2NCOR2

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 HDAC1 611/4885SSTR4 1197/4885BCHE 893/4885

“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.