SCHEMBL1801310

SCHEMBL1801310

CC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 3/20 0.39
MAP2K1 Q02750 3/20 0.39
SSTR4 P31391 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL1797314 0.93 SSTR4 (0.43) L3MBTL1ALDH1A1RECQLCYP2D6CYP2C9
SCHEMBL1800515 0.92 CYP2D6 (0.47) ALDH1A1RECQLCYP2D6CYP2C9CYP2C19
SCHEMBL1800492 0.90 RAF1 (0.45) ALDH1A1RECQLCYP2D6CYP2C9CYP2C19
SCHEMBL26203100 0.87 HDAC3 (0.44) L3MBTL1TSHRALDH1A1NPSR1RECQL
SCHEMBL30441829 0.87 HDAC3 (0.44) L3MBTL1TSHRALDH1A1NPSR1RECQL
SCHEMBL4249245 0.83 HDAC3 (0.47) L3MBTL1TSHRALDH1A1NPSR1RECQL
SCHEMBL4064665 0.82 HDAC3 (0.46) L3MBTL1TSHRALDH1A1NPSR1RECQL
SCHEMBL1800545 0.81 KDM4E (0.47) TSHRALDH1A1NPSR1HDAC3HDAC1
SCHEMBL22746859 0.81 SSTR4 (0.56) L3MBTL1ALDH1A1NPSR1HDAC1MEN1
SCHEMBL1801093 0.81 HDAC1 (0.43) TSHRHDAC3HDAC1HDAC2NCOR2

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 L3MBTL1 3773/4885TSHR 801/4885ALDH1A1 1203/4885

“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.