SCHEMBL3638243

SCHEMBL3638243

CC(C)(C)c1n[nH]cc1CNc1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGER4 P35408 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 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
SCHEMBL3640373 0.90 TTBK1 (0.37) DHFRMAPK1MAPTKDM4EMEN1
SCHEMBL3639635 0.85 KCNJ5 (0.41) MAPTKDM4EPPARGPPARAALDH1A1
SCHEMBL3639205 0.85 TRPV1 (0.43) DHFRCYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3637131 0.84 GAA (0.47) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL3637561 0.83 HTT (0.51) CYP3A4CYP2C9CYP2C19MAPTMEN1
SCHEMBL3636895 0.82 LMNA (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL3641121 0.82 CACNA1B (0.44) LMNANTRK1
SCHEMBL3636301 0.82 MAPT (0.48) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL3635404 0.81 MEN1 (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL3635946 0.81 MAPT (0.38) CYP2C9CYP2C19MAPTKDM4EMEN1

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 DHFR 1656/4885CYP3A4 3415/4885CYP2C9 3498/4885

“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.