SCHEMBL1422564

SCHEMBL1422564

c1cncc(-c2noc(-c3ccc4[nH]cnc4c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ CHRNB2 P17787 3/20 0.59
▸ CHRNA5 P30532 3/20 0.59
▸ CHRNA4 P43681 3/20 0.59
▸ MAPT P10636 4/20 0.58
▸ TP53 P04637 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ NFKB1 P19838 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55
▸ RELA Q04206 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ QPCT Q16769 1/20 0.53
▸ QPCTL Q9NXS2 1/20 0.53
▸ PPARA Q07869 4/20 0.53
▸ S1PR1 P21453 2/20 0.53

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
SCHEMBL6962240 0.81 QPCT (0.77) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1423111 0.81 NPC1 (0.60) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1422788 0.80 NPC1 (0.66) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1608471 0.80 PSMD11 (0.54) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL12619234 0.79 S1PR1 (0.56) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL1423263 0.78 NPC1 (0.66) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1422720 0.78 NPC1 (0.66) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1422890 0.77 CHRNB2 (1.00) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL1608484 0.77 MAPT (0.56) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL1422804 0.77 CHRNB2 (0.61) 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 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
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
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
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.

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