SCHEMBL3753652

SCHEMBL3753652

CCOCc1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGMT P16455 1/20 0.37
POLB P06746 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 1/20 0.34
HCRTR1 O43613 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
SCHEMBL10311190 0.81 TACR1 (0.44) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL30474798 0.80 TACR1 (0.43) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL25211991 0.80 TACR1 (0.43) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL3706851 0.80 CYP11B1 (0.45) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL16195762 0.80 CYP1A2 (0.48) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL13645569 0.78 CYP11B1 (0.39) HCAR2CYP3A4
SCHEMBL14909635 0.78 TACR1 (0.56) TACR1SLC6A4KCNH2HTTSMN1; SMN2
SCHEMBL16196580 0.78 CYP11B2 (0.42) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL7547856 0.78 TACR1 (0.41) TACR1SLC6A4KCNH2HTTMAPT
SCHEMBL16196100 0.77 CYP11B2 (0.47) TACR1SLC6A4KCNH2HTTMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
CN-101228115-A Bis-aromatic amides and their uses as sweet flavor modifiers, tastants and taste enhancers SENOMYX INC (US) 2008-07-23 CN disclosed
EP-1907353-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx Inc. (US) 2008-04-09 EP disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
WO-2006138512-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-12-28 WO disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (2 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TACR1 3631/4885SLC6A4 4117/4885KCNH2 4354/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TACR1 3631/4885SLC6A4 4117/4885KCNH2 4354/4885

“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.