SCHEMBL3635946

SCHEMBL3635946

CC(C)COc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX12 P18054 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C9 P11712 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
SCHEMBL3640433 0.88 EPHX2 (0.44) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3640373 0.86 TTBK1 (0.37) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3636301 0.86 MAPT (0.48) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3634675 0.84 MAPT (0.40) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3633546 0.84 MAPT (0.40) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3637131 0.83 GAA (0.47) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3638243 0.81 DHFR (0.43) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3640664 0.81 MAPT (0.54) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3638896 0.80 HTT (0.44) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL3639367 0.80 HTT (0.39) MAPTKMT2AGAAKDM4EALDH1A1

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 572/4885KMT2A 595/4885GAA 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.