SCHEMBL6629270

SCHEMBL6629270

CN(C(=O)OC(C)(C)C)[C@@H]1c2ccccc2C[C@@H]1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
KDM1A O60341 5/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
BUB1 O43683 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL19182883 1.00 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNAMAPT
SCHEMBL19200493 1.00 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNAMAPT
SCHEMBL19200258 1.00 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNAMAPT
SCHEMBL6633168 0.85 ALDH1A1 (0.36) EPHX2HTR2AHTR2CHTR2BHRH3
SCHEMBL20678607 0.83 SIGMAR1 (0.39) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL5907844 0.83 SIGMAR1 (0.39) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL5731284 0.79 MAPK1 (0.32) EPHX2MAPK1ALDH1A1XBP1HTT
SCHEMBL5731292 0.79 MAPK1 (0.32) EPHX2MAPK1ALDH1A1XBP1HTT
SCHEMBL5731289 0.79 MAPK1 (0.32) EPHX2MAPK1ALDH1A1XBP1HTT
SCHEMBL20696323 0.78 EPHX2 (0.31) EPHX2

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 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
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP 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 EPHX2 3199/4885KDM1A 1761/4885MAPK1 1994/4885

“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.