SCHEMBL19200466

SCHEMBL19200466

CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)C(c1ccc(F)cc1F)N1CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 5/20 0.42
OXTR P30559 5/20 0.37
GRM7 Q14831 2/20 0.37
CYP3A4 P08684 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
GHSR Q92847 1/20 0.36
SCN9A Q15858 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPK14 Q16539 1/20 0.34
BIRC2 Q13490 1/20 0.34
NPY5R Q15761 1/20 0.33
NPY2R P49146 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
SCHEMBL19200269 0.91 KDM4D (0.42) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19183091 0.89 KDM4D (0.41) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200952 0.89 KDM4D (0.41) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200374 0.88 KDM4D (0.40) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200950 0.88 OXTR (0.37) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200379 0.88 GRM7 (0.46) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200378 0.88 GRM7 (0.46) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200313 0.88 OXTR (0.40) OXTRGRM7CYP3A4AVPR2AVPR1A
SCHEMBL19183522 0.87 KDM4D (0.38) KDM4DOXTRGRM7CYP3A4AVPR2
SCHEMBL19200479 0.85 KDM4D (0.37) KDM4DOXTRGRM7CYP3A4AVPR2

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 KDM4D 2480/4885OXTR 248/4885GRM7 1/4885

“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.