SCHEMBL3637033

SCHEMBL3637033

FC(F)(F)c1ccc(-c2n[nH]cc2CNc2cccc(Cc3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
PPARA Q07869 1/20 0.40
MGLL Q99685 1/20 0.40
GHSR Q92847 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
CXCR2 P25025 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR1H2 P55055 2/20 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
SCHEMBL3640071 0.90 NR1H2 (0.41) MAOBPPARAMGLLMAPTSMN1; SMN2
SCHEMBL3636214 0.86 MAPT (0.49) MAOBPPARAMAPTSMN1; SMN2CLK1
SCHEMBL3633199 0.85 NOS1 (0.43) MAOBPPARAMAPTSMN1; SMN2CLK1
SCHEMBL3636635 0.85 GRK2 (0.47) MAOBPPARAMAPTSMN1; SMN2CLK1
SCHEMBL3638354 0.84 HDAC1 (0.47) MAOBPPARAMAPTSMN1; SMN2CLK1
SCHEMBL3641227 0.83 ERBB2 (0.47) MAOBPPARAMAPTSMN1; SMN2CLK1
SCHEMBL3636135 0.83 ERBB2 (0.47) PPARAMAPTSMN1; SMN2CLK1DYRK1A
SCHEMBL3636737 0.82 PPARA (0.49) PPARAMGLLEPHX2HDAC1HDAC8
SCHEMBL3636746 0.81 HDAC1 (0.51) MAPTSMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3640361 0.81 FLT1 (0.40) PPARAMAPTSMN1; SMN2CLK1DYRK1A

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
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-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 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
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN 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 MAOB 878/4885PPARA 435/4885MGLL 1686/4885

“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.