SCHEMBL3635849

SCHEMBL3635849

Cc1ccc(C)c(NCc2c[nH]nc2C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
DHFR P00374 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
HTT P42858 1/20 0.35
NLRP3 Q96P20 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL3635065 0.89 MAPT (0.48) GAAMAPTALDH1A1LMNATSHR
SCHEMBL3639654 0.83 ADRA2C (0.48) GAAMAPTALDH1A1LMNAMAPK1
SCHEMBL3638896 0.80 HTT (0.44) GAAMAPTALDH1A1LMNAMAPK1
SCHEMBL3636797 0.80 MAPT (0.47) GAAMAPTALDH1A1LMNATSHR
SCHEMBL3635913 0.78 MAPT (0.49) MAPTALDH1A1LMNATDP1L3MBTL1
SCHEMBL3640301 0.78 GAA (0.49) GAAMAPTALDH1A1LMNAMAPK1
SCHEMBL3632943 0.77 MAPT (0.43) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL3640421 0.75 GAA (0.43) GAAMAPTALDH1A1LMNADHFR
SCHEMBL3639367 0.75 HTT (0.39) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3639550 0.75 LMNA (0.43) GAAMAPTLMNAMAPK1TDP1

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 GAA 2566/4885MAPT 572/4885ALDH1A1 3335/4885

“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.