SCHEMBL3636737

SCHEMBL3636737

O=C(c1ccccc1)c1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
EPHX2 P34913 1/20 0.47
SETD7 Q8WTS6 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
VNN1 O95497 3/20 0.45
ROCK2 O75116 5/20 0.41
GRK2 P25098 5/20 0.41
PRKCA P17252 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MGLL Q99685 1/20 0.40
GRK3 P35626 2/20 0.40
GRK7 Q8WTQ7 2/20 0.40
GRK5 P34947 1/20 0.39

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
SCHEMBL3640089 0.91 FRK (0.46) PPARAEPHX2VNN1
SCHEMBL3639427 0.89 PPARA (0.48) PPARASETD7EHMT2ROCK2GRK2
SCHEMBL3640796 0.85 FRK (0.53) PPARASETD7EHMT2ROCK2GRK2
SCHEMBL3636214 0.84 MAPT (0.49) PPARA
SCHEMBL3637033 0.82 MAOB (0.41) PPARAEPHX2SETD7EHMT2NR1H2
SCHEMBL3636635 0.82 GRK2 (0.47) PPARAGRK2HDAC1HDAC8HDAC6
SCHEMBL3639237 0.82 FRK (0.46) PPARAEPHX2VNN1
SCHEMBL3638354 0.82 HDAC1 (0.47) PPARAHDAC1HDAC8HDAC6
SCHEMBL3636135 0.81 ERBB2 (0.47) PPARA
SCHEMBL3641227 0.81 ERBB2 (0.47) PPARAROCK2GRK2NR1H2

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 PPARA 435/4885EPHX2 2119/4885SETD7 3486/4885

“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.