SCHEMBL8243449

SCHEMBL8243449

COc1ccc(-n2cnc3c(sc4nccc(NCCO)c43)c2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 20/20 0.77
KCNH2 Q12809 1/20 0.77
GRM5 P41594 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
NCOA1 Q15788 1/20 0.67
HSD17B10 Q99714 1/20 0.67
NCOA3 Q9Y6Q9 1/20 0.67

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
SCHEMBL8237817 0.94 GRM1 (0.75) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8237050 0.91 GRM1 (0.78) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8237635 0.91 GRM1 (0.77) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8243299 0.89 GRM1 (0.76) GRM1KCNH2GRM5KDM4E
SCHEMBL8238330 0.89 GRM1 (0.81) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8237832 0.89 GRM1 (0.72) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL14518176 0.89 GRM1 (0.74) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8237819 0.89 GRM1 (0.74) GRM1KCNH2GRM5KDM4EALDH1A1
SCHEMBL8243546 0.88 GRM1 (0.74) GRM1KCNH2GRM5
SCHEMBL8243545 0.87 GRM1 (0.75) GRM1KCNH2GRM5

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 8 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
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-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

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-20090192178-A1 mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM4, GRIA1 GRM1 1/4885KCNH2 605/4885GRM5 8/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 GRM1 1/4885KCNH2 605/4885GRM5 8/4885

“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.