SCHEMBL3636601

SCHEMBL3636601

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
MAOB P27338 2/20 0.46
PPARD Q03181 7/20 0.44
GRM4 Q14833 1/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PPARA Q07869 1/20 0.42
PTPN1 P18031 1/20 0.41
PPARG P37231 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3637968 0.94 MAOB (0.44) FRKCAMK2BCAMK2GCAMK2DMAOB
SCHEMBL3638774 0.93 MAOB (0.43) FRKCAMK2BCAMK2GCAMK2DMAOB
SCHEMBL3637698 0.91 MAOB (0.47) MAOBPPARDGRM4FFAR1FFAR4
SCHEMBL3636640 0.89 MMP1 (0.44) MAOBFFAR1FFAR4ALDH1A1MAPT
SCHEMBL3635074 0.88 MAOB (0.47) FRKCAMK2BCAMK2GCAMK2DMAOB
SCHEMBL3636632 0.87 MAPT (0.45) MAOBFFAR1FFAR4ALDH1A1MAPT
SCHEMBL3632560 0.87 L3MBTL1 (0.51) PTPN1ALDH1A1MAPT
SCHEMBL3638983 0.87 MAOB (0.62) MAOBPPARDPPARAPTPN1PPARG
SCHEMBL3638729 0.83 FRK (0.48) FRKCAMK2BCAMK2GCAMK2DPPARD
SCHEMBL3634463 0.82 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DFFAR1

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 FRK 2372/4885CAMK2B 250/4885CAMK2G 288/4885

“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.