SCHEMBL3636632

SCHEMBL3636632

CCCC(=O)c1ccc(OCc2c[nH]nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.40
NR4A2 P43354 2/20 0.40
HSD17B3 P37058 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 2/20 0.39
STS P08842 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CPB1 P15086 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL3636640 0.89 MMP1 (0.44) MAPTMAOBL3MBTL1LMNASMN1; SMN2
SCHEMBL3632560 0.89 L3MBTL1 (0.51) MAPTL3MBTL1LMNASMN1; SMN2HPGD
SCHEMBL3636601 0.87 FRK (0.48) MAPTMAOBFFAR1FFAR4ALDH1A1
SCHEMBL3639853 0.81 FRK (0.51) MAPTL3MBTL1LMNASMN1; SMN2HPGD
SCHEMBL3634536 0.81 MMP1 (0.44) MAPTPOLBMAOBL3MBTL1LMNA
SCHEMBL3637968 0.81 MAOB (0.44) MAOBL3MBTL1HSD17B3NPC1FFAR1
SCHEMBL3638774 0.80 MAOB (0.43) MAOBL3MBTL1HSD17B3
SCHEMBL3635074 0.79 MAOB (0.47) MAOAMAOBNR4A2FFAR1FFAR4
SCHEMBL3637698 0.78 MAOB (0.47) MAPTMAOBSMN1; SMN2NPC1FFAR1
SCHEMBL3641017 0.74 L3MBTL1 (0.46) MAPTL3MBTL1SMN1; SMN2HPGDHSD17B3

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 claimed
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-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP 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 572/4885POLB 4225/4885MAOA 984/4885

“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.