SCHEMBL1423089

SCHEMBL1423089

N#Cc1cccc(-c2nc(-c3cncnc3)no2)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.78
CHRNA5 P30532 4/20 0.78
CHRNA4 P43681 4/20 0.78
GRM5 P41594 4/20 0.61
NOTUM Q6P988 1/20 0.47
KCNH2 Q12809 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
USP30 Q70CQ3 1/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CLK4 Q9HAZ1 1/20 0.45
CA9 Q16790 1/20 0.45
IDO1 P14902 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1421777 0.88 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL30065433 0.88 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL1422881 0.85 CHRNB2 (0.90) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL1423419 0.83 CHRNB2 (0.69) CHRNB2CHRNA5CHRNA4GRM5NOTUM
SCHEMBL4192844 0.81 GRM5 (0.73) CHRNB2CHRNA5CHRNA4GRM5NOTUM
SCHEMBL1423608 0.81 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4GRM5NOTUM
SCHEMBL3615921 0.80 NOTUM (0.55) CHRNB2CHRNA5CHRNA4GRM5NOTUM
SCHEMBL1422802 0.79 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4GRM5USP30
SCHEMBL2273610 0.79 CHRNB2 (0.67) CHRNB2CHRNA5CHRNA4GRM5NOTUM
SCHEMBL18890284 0.78 IDO1 (0.56) CHRNB2CHRNA5CHRNA4GRM5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US claimed
EP-2297140-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-03-23 EP claimed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US claimed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO claimed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US claimed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2297140-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-03-23 EP disclosed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US 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-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 CHRNB2 14/4885CHRNA5 7/4885CHRNA4 3/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CHRNB2 3741/4885CHRNA5 4256/4885CHRNA4 4109/4885

“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.