SCHEMBL19200428

SCHEMBL19200428

CC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 6/20 0.47
KCNQ2 O43526 1/20 0.42
SCN9A Q15858 2/20 0.37
EPHX2 P34913 1/20 0.37
GHSR Q92847 2/20 0.35
KDM4D Q6B0I6 1/20 0.35
KCNH2 Q12809 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DRD2 P14416 1/20 0.34
ATM Q13315 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL19200429 1.00 GRM7 (0.47) GRM7KCNQ2SCN9AEPHX2GHSR
SCHEMBL19200308 1.00 GRM7 (0.47) GRM7KCNQ2SCN9AEPHX2GHSR
SCHEMBL19200936 0.87 GRM7 (0.62) GRM7SCN9AEPHX2GHSRKDM4D
SCHEMBL19200462 0.87 GRM7 (0.62) GRM7SCN9AEPHX2GHSRKDM4D
SCHEMBL19200419 0.87 KDM4D (0.39) GRM7KCNQ2SCN9AEPHX2GHSR
SCHEMBL19183414 0.87 KDM4D (0.39) GRM7KCNQ2SCN9AEPHX2GHSR
SCHEMBL19182796 0.87 GRM7 (0.51) GRM7KCNQ2
SCHEMBL20678628 0.87 GRM7 (0.51) GRM7KCNQ2
SCHEMBL20678611 0.87 GRM7 (0.51) GRM7KCNQ2
SCHEMBL19182881 0.87 GRM7 (0.51) GRM7KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US claimed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 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 (1 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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 GRM7 1/4885KCNQ2 1268/4885SCN9A 1100/4885

“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.