SCHEMBL1799893

SCHEMBL1799893

CC(C)(C)OC(=O)N(CCc1ccccn1)Cc1cccc(CCOC2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
RAF1 P04049 7/20 0.41
MAP2K1 Q02750 7/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 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
SCHEMBL1800515 0.81 CYP2D6 (0.47) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL1801456 0.81 PTGES (0.41) KDM4CNPC1RAB9AKDM4EALDH1A1
SCHEMBL30441397 0.78 RAF1 (0.49) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL1800492 0.76 RAF1 (0.45) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL1801887 0.75 KDM4C (0.49) KDM4CCYP2D6CYP2C19NPC1RAB9A
SCHEMBL1797314 0.75 SSTR4 (0.43) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL28935874 0.75 KDM4C (0.65) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL1801310 0.74 L3MBTL1 (0.42) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL1801058 0.73 RAF1 (0.43) RAF1MAP2K1CYP2D6CYP2C9CYP2C19
SCHEMBL1800545 0.72 KDM4E (0.47) RAF1MAP2K1POLBKDM4EALDH1A1

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 KDM4C 4854/4885RAF1 2030/4885MAP2K1 3563/4885

“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.