SCHEMBL1800515

SCHEMBL1800515

CC(C)(C)OC(=O)N(CCc1ccccn1)Cc1cccc(CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
RAF1 P04049 7/20 0.46
MAP2K1 Q02750 7/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
SSTR4 P31391 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1800492 0.94 RAF1 (0.45) CYP2D6CYP2C9CYP2C19RECQLRAF1
SCHEMBL1797314 0.93 SSTR4 (0.43) CYP2D6CYP2C9CYP2C19RECQLRAF1
SCHEMBL1801310 0.92 L3MBTL1 (0.42) CYP2D6CYP2C9CYP2C19RECQLRAF1
SCHEMBL1800545 0.90 KDM4E (0.47) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL30441397 0.88 RAF1 (0.49) CYP2D6CYP2C9CYP2C19RECQLRAF1
SCHEMBL1801058 0.83 RAF1 (0.43) CYP2D6CYP2C9CYP2C19RECQLRAF1
SCHEMBL1799338 0.83 RAF1 (0.42) RAF1MAP2K1KDM4EALDH1A1TDP1
SCHEMBL1802397 0.82 HDAC1 (0.43) SSTR4HDAC1
SCHEMBL1800444 0.82 HDAC1 (0.42) SSTR4HDAC1
SCHEMBL1799893 0.81 KDM4C (0.42) CYP2D6CYP2C9CYP2C19RECQLRAF1

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 CYP2D6 1188/4885CYP2C9 1331/4885CYP2C19 719/4885

“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.