SCHEMBL3800645

SCHEMBL3800645

CC(C)Oc1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARA Q07869 1/20 0.39
PTPN5 P54829 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
GRK2 P25098 2/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
TSHR P16473 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL3633959 0.91 MAPT (0.39) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3635323 0.91 MAPT (0.40) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3638187 0.89 MAPT (0.37) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3636746 0.88 HDAC1 (0.51) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3640361 0.86 FLT1 (0.40) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3636789 0.85 GAA (0.37) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3636635 0.85 GRK2 (0.47) GAAMAPTHDAC1HDAC8HDAC6
SCHEMBL3636214 0.84 MAPT (0.49) GAAMAPTPPARAMEN1KMT2A
SCHEMBL3636135 0.84 ERBB2 (0.47) GAAMAPTPPARAMEN1KMT2A
SCHEMBL3638627 0.83 MAPT (0.47) GAAMAPTHDAC1HDAC8HDAC6

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 5 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
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN 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
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
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

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 GAA 2566/4885MAPT 572/4885HDAC4 1007/4885

“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.