SCHEMBL3634508

SCHEMBL3634508

COc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
GAA P10253 5/20 0.52
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
CASP1 P29466 1/20 0.52
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
DHFR P00374 3/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
NTRK1 P04629 3/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3636265 0.85 DHFR (0.43) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3637131 0.82 GAA (0.47) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3636797 0.81 MAPT (0.47) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3640778 0.81 DHFR (0.40) MAPTALDH1A1GAAKDM4EL3MBTL1
SCHEMBL3633513 0.81 MAPT (0.52) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3635100 0.80 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3637050 0.80 DHFR (0.47) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL3638896 0.79 HTT (0.44) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL3634678 0.78 MEN1 (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3636895 0.78 LMNA (0.40) MAPTALDH1A1GAAKDM4EMEN1

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-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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 (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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 MAPT 572/4885ALDH1A1 3335/4885GAA 2566/4885

“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.