SCHEMBL1500160

SCHEMBL1500160

Brc1ccc2nc3c(cc2c1)CCCO3

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 4/20 0.52
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ACHE P22303 10/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ BCHE P06276 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2A Q12879 4/20 0.33
▸ PRNP P04156 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL29120941 0.90 GRM1 (0.42) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8350087 0.81 GRM1 (0.52) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30632987 0.79 GRM1 (0.55) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL29120932 0.79 GRM1 (0.55) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8353952 0.78 GRM1 (0.80) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8350623 0.74 GRM1 (0.45) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL26628020 0.73 GRM1 (0.43) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13597817 0.72 GRM1 (0.46) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL22575141 0.71 GRM1 (0.34) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL29120942 0.71 GRM1 (0.42) GRM1TP53CYP3A4MAPK1SMN1; SMN2

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
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 — — US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 — — US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 — — US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 — — US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 — — EP disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 — — 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 GRM1 2/4885TP53 4814/4885CYP3A4 767/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 GRM1 3/4885TP53 4576/4885CYP3A4 1541/4885

“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.

Send feedback