SCHEMBL3678372

SCHEMBL3678372

CN(C)c1ccc(-c2nc(-c3cncnc3)no2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.52
▸ CHRNA5 P30532 2/20 0.52
▸ CHRNA4 P43681 2/20 0.52
▸ MAPT P10636 2/20 0.48
▸ PLAT P00750 1/20 0.45
▸ TP53 P04637 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ S1PR1 P21453 5/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1421528 0.83 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1421522 0.77 CHRNB2 (0.68) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1423028 0.77 NPC1 (0.56) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1424600 0.77 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1421288 0.75 NPC1 (0.55) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1421295 0.73 TP53 (0.71) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1425106 0.71 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1422732 0.70 RAB9A (0.50) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1422701 0.69 PTGES (0.45) CHRNB2CHRNA5CHRNA4MAPTTP53
SCHEMBL1423283 0.69 RAB9A (0.47) CHRNB2CHRNA5CHRNA4MAPTTP53

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 9 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
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
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
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
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.

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