SCHEMBL3635402

SCHEMBL3635402

CC(C)(C)c1n[nH]cc1CNc1ccc(-c2ccsc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
AXL P30530 1/20 0.35
CYP17A1 P05093 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP2A6 P11509 2/20 0.33
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
GHSR Q92847 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2B6 P20813 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
SCHEMBL3637444 0.86 PRMT6 (0.41) AXLHDAC1HDAC2CHEK1STK10
SCHEMBL3637475 0.85 ROCK2 (0.41) CYP17A1GHSRCYP1A2
SCHEMBL3633027 0.81 PRMT6 (0.39) CYP17A1CYP11B1CYP11B2HDAC1HDAC2
SCHEMBL3638896 0.79 HTT (0.44) NPC1
SCHEMBL3636895 0.78 LMNA (0.40) NPC1HDAC1PIM1
SCHEMBL3634678 0.78 MEN1 (0.42) NPC1HDAC1CYP1A2
SCHEMBL3640679 0.77 MAOB (0.40) CYP1A2
SCHEMBL3637131 0.77 GAA (0.47) NPC1
SCHEMBL3636189 0.76 MAPT (0.42)
SCHEMBL3635014 0.75 TRPV1 (0.43) AXLCYP1A2

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 NPC1 2174/4885AXL 2498/4885CYP17A1 3765/4885

“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.