SCHEMBL3638129

SCHEMBL3638129

CCCN1Cc2ccc(OC(=O)c3cn(C(=O)OC(C)(C)C)nc3-c3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 3/20 0.32
RXRA P19793 2/20 0.32
P2RY14 Q15391 1/20 0.32
ROCK1 Q13464 2/20 0.32
CTSS P25774 1/20 0.32
GHSR Q92847 1/20 0.32
MMP13 P45452 1/20 0.32
MAP2K4 P45985 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TRPM2 O94759 1/20 0.31

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
SCHEMBL3634736 0.94 DRD2 (0.34) GPR119CTSSGHSR
SCHEMBL3635358 0.88 MMP2 (0.34) GAAROCK1MMP13
SCHEMBL3638845 0.88 ACACB (0.38) GPR119NR1H2NR1H3RXRAROCK1
SCHEMBL3635245 0.87 MAP2K4 (0.36) GAANR1H2NR1H3RXRAGHSR
SCHEMBL3639870 0.86 TP53 (0.33) ROCK1GHSR
SCHEMBL3640818 0.86 MAP2K4 (0.39) GPR119NR1H2NR1H3RXRAGHSR
SCHEMBL3800281 0.85 L3MBTL1 (0.36) GPR119NR1H2NR1H3P2RY14ROCK1
SCHEMBL3638127 0.72 PPARD (0.36) NR1H2NR1H3RXRA
SCHEMBL3634732 0.69 HRH3 (0.42)
SCHEMBL2511077 0.68 DRD2 (0.36)

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 GAA 2566/4885GPR119 84/4885NR1H2 493/4885

“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.