SCHEMBL3637698

SCHEMBL3637698

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
PPARD Q03181 5/20 0.45
GRM4 Q14833 1/20 0.44
PPARA Q07869 1/20 0.43
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A2 P31213 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL3636601 0.91 FRK (0.48) MAOBPPARDGRM4PPARAPTPN1
SCHEMBL3637968 0.89 MAOB (0.44) MAOBPPARDGRM4PPARAPTPN1
SCHEMBL3638983 0.89 MAOB (0.62) MAOBPPARDPPARAPTPN1PPARG
SCHEMBL3638774 0.89 MAOB (0.43) MAOBPPARD
SCHEMBL27798530 0.81 PPARD (0.44) MAOBPPARDPPARAPTPN1PPARG
SCHEMBL3636640 0.80 MMP1 (0.44) MAOBMAPTSMN1; SMN2MEN1NPC1
SCHEMBL3637733 0.80 GSTP1 (0.52) MAOBPPARDPPARAMAPTHTT
SCHEMBL3635074 0.79 MAOB (0.47) MAOBPPARDSRD5A2FFAR1FFAR4
SCHEMBL3636632 0.78 MAPT (0.45) MAOBRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL3639321 0.78 MAOB (0.49) MAOBPPARDPPARAMAPTFFAR1

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
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 MAOB 878/4885PPARD 304/4885GRM4 7/4885

“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.