SCHEMBL3637697

SCHEMBL3637697

Cc1nc(-c2ccc(NCc3c[nH]nc3C(C)(C)C)cc2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
BCHE P06276 1/20 0.34
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
GHSR Q92847 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGER4 P35408 3/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
PPARD Q03181 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3637485 0.87 PPARG (0.36) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL4914813 0.83 TP53 (0.46) MAPTUSP2TP53
SCHEMBL3638027 0.79 MAPT (0.32) GHSRLMNAKDM4EALDH1A1MAPT
SCHEMBL3638896 0.79 HTT (0.44) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL3637475 0.77 ROCK2 (0.41) GHSRKDM4EALDH1A1MAPTGAA
SCHEMBL3636895 0.75 LMNA (0.40) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL3634678 0.75 MEN1 (0.42) LMNAALDH1A1MAPTGAARAB9A
SCHEMBL3640679 0.75 MAOB (0.40) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL3637131 0.74 GAA (0.47) LMNAKDM4EALDH1A1MAPTGAA
SCHEMBL3635911 0.74 IMPDH2 (0.43) LMNAKDM4EALDH1A1GAARAB9A

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 PPARG 175/4885PPARA 435/4885BCHE 1438/4885

“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.