SCHEMBL3638993

SCHEMBL3638993

Cc1csc(-c2cccc(NCc3c[nH]nc3C(C)(C)C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.41
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
SCD O00767 2/20 0.35
PPARA Q07869 1/20 0.33
MAPT P10636 7/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
MET P08581 1/20 0.32
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL3637348 0.83 HTT (0.47) MAPTALDH1A1HTTHPGDKDM4E
SCHEMBL3638998 0.83 HAO1 (0.40) HAO1PPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL3637488 0.81 PRMT6 (0.42) CYP3A4CYP2C9MAPTALDH1A1SMN1; SMN2
SCHEMBL3637444 0.80 PRMT6 (0.41) MAPTALDH1A1HTTTDP1NPSR1
SCHEMBL3635913 0.78 MAPT (0.49) CYP3A4CYP2C9MAPTALDH1A1SMN1; SMN2
SCHEMBL3637485 0.77 PPARG (0.36) CYP3A4CYP2C9PPARAMAPTALDH1A1
SCHEMBL3641235 0.76 MAOB (0.43) MAPTALDH1A1HTTTDP1NPSR1
SCHEMBL3635936 0.75 PRMT6 (0.41) CYP3A4CYP2C9MAPTALDH1A1SMN1; SMN2
SCHEMBL3633809 0.75 METAP2 (0.40) CYP3A4CYP2C9MAPTALDH1A1HTT
SCHEMBL3633805 0.75 KDM4E (0.45) MAPTALDH1A1SMN1; SMN2HTTMAPK1

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 4 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-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 HAO1 3370/4885CYP2E1 3358/4885CYP3A4 3415/4885

“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.