SCHEMBL1799338

SCHEMBL1799338

CC(C)(C)OC(=O)N(CCc1ccccn1)Cc1ccccc1-c1ccc(CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.42
MAP2K1 Q02750 4/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.40
SSTR4 P31391 1/20 0.40
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
SYK P43405 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1800545 0.90 KDM4E (0.47) RAF1MAP2K1KDM4EALDH1A1SSTR4
SCHEMBL1797654 0.87 LPAR1 (0.43)
SCHEMBL1800515 0.83 CYP2D6 (0.47) RAF1MAP2K1KDM4EALDH1A1SSTR4
SCHEMBL1797314 0.80 SSTR4 (0.43) RAF1MAP2K1KDM4EALDH1A1SSTR4
SCHEMBL1798511 0.78 MLNR (0.43) KDM4E
SCHEMBL7864555 0.77 KDM4E (0.45) RAF1MAP2K1KDM4EALDH1A1CYP1A2
SCHEMBL22746859 0.77 SSTR4 (0.56) KDM4EALDH1A1SSTR4CYP1A2TDP1
SCHEMBL1800492 0.77 RAF1 (0.45) RAF1MAP2K1KDM4EALDH1A1SSTR4
SCHEMBL6018304 0.76 LPAR1 (0.44) RAF1MAP2K1KDM4EALDH1A1POLB
SCHEMBL30441397 0.76 RAF1 (0.49) RAF1MAP2K1KDM4EALDH1A1CYP1A2

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 RAF1 2030/4885MAP2K1 3563/4885HCRTR1 221/4885

“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.