SCHEMBL1962810

SCHEMBL1962810

N#Cc1ccc(OC2CCOC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 2/20 0.44
CHEK1 O14757 2/20 0.44
AR P10275 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GRM2 Q14416 2/20 0.40
ALK Q9UM73 1/20 0.40
CSNK2A1 P68400 2/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
PDE4D Q08499 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL1965826 1.00 TRPC6 (0.44) TRPC6CHEK1ARCNR1CNR2
SCHEMBL3747459 1.00 TRPC6 (0.44) TRPC6CHEK1ARCNR1CNR2
SCHEMBL17616923 0.83 CHEK1 (0.45) CHEK1ALKIKBKETBK1PDE4D
SCHEMBL17622119 0.83 CHEK1 (0.45) CHEK1ALKIKBKETBK1PDE4D
SCHEMBL12391607 0.83 CHEK1 (0.45) CHEK1ALKIKBKETBK1PDE4D
SCHEMBL12391611 0.83 CHEK1 (0.45) CHEK1ALKIKBKETBK1PDE4D
SCHEMBL1962558 0.83 SYK (0.55) CHEK1ARALKIKBKETBK1
SCHEMBL1962561 0.83 SYK (0.55) CHEK1ARALKIKBKETBK1
SCHEMBL1966017 0.83 SYK (0.55) CHEK1ARALKIKBKETBK1
SCHEMBL7360862 0.82 PDE4D (0.54) CHEK1PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 TRPC6 904/4885CHEK1 2417/4885AR 2563/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 TRPC6 904/4885CHEK1 2417/4885AR 2563/4885

“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.