SCHEMBL3637475

SCHEMBL3637475

CC(C)(C)c1n[nH]cc1CNc1ccc(-c2ccncc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.41
GRK2 P25098 5/20 0.41
KIF11 P52732 1/20 0.39
CYP17A1 P05093 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
LRRK2 Q5S007 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GHSR Q92847 1/20 0.34
ADRA2B P18089 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3635402 0.85 NPC1 (0.35) CYP17A1CYP1A2GHSR
SCHEMBL3638896 0.83 HTT (0.44) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL3636189 0.82 MAPT (0.42) MAPT
SCHEMBL3633027 0.82 PRMT6 (0.39) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3636895 0.82 LMNA (0.40) KDM4EALDH1A1GAAMAPTNTRK1
SCHEMBL3634678 0.82 MEN1 (0.42) ROCK2GRK2CYP1A2CYP2D6CYP2C9
SCHEMBL3640679 0.81 MAOB (0.40) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3635014 0.81 TRPV1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3637131 0.81 GAA (0.47) ROCK2GRK2KDM4EALDH1A1GAA
SCHEMBL3635911 0.80 IMPDH2 (0.43) AAK1CYP3A4CYP2D6KDM4EALDH1A1

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 ROCK2 2286/4885GRK2 26/4885KIF11 2493/4885

“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.