SCHEMBL20182780

SCHEMBL20182780

CC(C)(C)OC(=O)NC1COc2ccccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.44
EPHX2 P34913 1/20 0.44
GRM7 Q14831 3/20 0.43
SSTR4 P31391 1/20 0.43
GAA P10253 1/20 0.43
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ABCB1 P08183 1/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL21542270 1.00 KDM1A (0.44) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL21542268 1.00 KDM1A (0.44) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL20165949 1.00 KDM1A (0.44) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL21542203 1.00 KDM1A (0.44) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL21542209 0.86 KDM1A (0.42) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL20182865 0.86 KDM1A (0.42) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL21542208 0.86 KDM1A (0.42) KDM1AMAOBEPHX2GRM7SSTR4
SCHEMBL30799332 0.85 GAA (0.52) KDM1AMAOBEPHX2SSTR4GAA
SCHEMBL6899464 0.83 EPHX2 (0.43) KDM1AMAOBEPHX2SSTR4GAA
SCHEMBL3375125 0.78 EPHX2 (0.41) KDM1AMAOBEPHX2SSTR4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 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 (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-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 KDM1A 1812/4885MAOB 2482/4885EPHX2 2032/4885
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 KDM1A 1812/4885MAOB 2482/4885EPHX2 2032/4885

“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.