SCHEMBL8235293

SCHEMBL8235293

CN(C)c1ccnc2sc3c(=O)n(-c4ccc(F)cc4)cnc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 19/20 1.00
GRM5 P41594 10/20 1.00
KDM4E B2RXH2 3/20 0.82
ALDH1A1 P00352 2/20 0.80
HTT P42858 2/20 0.80
HPGD P15428 1/20 0.80
KMT2A Q03164 1/20 0.77
NCOA1 Q15788 1/20 0.77
HSD17B10 Q99714 1/20 0.77
NCOA3 Q9Y6Q9 1/20 0.77

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
SCHEMBL8244372 0.90 GRM1 (0.82) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8237296 0.90 GRM1 (1.00) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8242958 0.90 GRM1 (0.83) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8236270 0.90 GRM1 (1.00) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8236636 0.89 GRM1 (1.00) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8235303 0.89 GRM1 (0.82) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8237446 0.89 GRM1 (1.00) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL13268250 0.89 GRM1 (0.82) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8279426 0.89 GRM1 (0.82) GRM1GRM5KDM4EALDH1A1HTT
SCHEMBL8238466 0.89 GRM1 (0.82) GRM1GRM5KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
US-7989464-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2011-08-02 US disclosed
EP-1765829-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORP (US) 2010-07-07 EP disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598259-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2009-07-30 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-03-26 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7485648-B2 mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-02-03 US disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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 (3 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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 GRM1 1/4885GRM5 8/4885KDM4E 1129/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 GRM1 1/4885GRM5 8/4885KDM4E 1129/4885
US-20090082336-A1 mGluR1 Antagonists as Therapeutic Agents GRM1, GRM4, GRIA1 GRM1 1/4885GRM5 8/4885KDM4E 1129/4885

“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.