SCHEMBL1422499

SCHEMBL1422499

Cn1c(=O)n(C)c2cc(-c3nc(-c4cccnc4)no3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
CHRNB2 P17787 5/20 0.58
CHRNA5 P30532 5/20 0.58
CHRNA4 P43681 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PPARA Q07869 4/20 0.56
S1PR1 P21453 1/20 0.55
CA9 Q16790 2/20 0.54

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
SCHEMBL768881 0.82 MAPK14 (0.58) ALDH1A1
SCHEMBL1423636 0.78 PPARA (0.58) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1422890 0.76 CHRNB2 (1.00) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL14327874 0.76 S1PR1 (0.74) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1423161 0.76 CHRNB2 (0.61) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL23524053 0.75 CYP11B1 (0.57) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL30355788 0.75 CYP11B1 (0.57) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL23523757 0.74 CYP11B1 (0.71) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL30355559 0.74 CYP11B1 (0.71) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL14327890 0.74 NPC1 (0.74) NPC1RAB9ACHRNB2CHRNA5CHRNA4

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 10 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
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 claimed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US 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
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 NPC1 2912/4885RAB9A 2342/4885CHRNB2 14/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 NPC1 1201/4885RAB9A 4444/4885CHRNB2 3741/4885

“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.