SCHEMBL3632802

SCHEMBL3632802

CCCC(=O)c1ccc(NCc2nc(C)c(C)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
FRK P42685 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
HSD17B3 P37058 1/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SLC27A1 Q6PCB7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3639107 0.77 FRK (0.47) LMNAFRKCAMK2BCAMK2GCAMK2D
SCHEMBL3634435 0.74 FRK (0.49) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3639374 0.74 FRK (0.44) RAB9AALDH1A1FRKCAMK2BCAMK2G
SCHEMBL3637976 0.74 FRK (0.44) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3635594 0.74 FRK (0.42) NPC1MAPTRAB9AALDH1A1FRK
SCHEMBL3636658 0.74 FRK (0.44) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3633399 0.73 TP53 (0.49) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3637433 0.72 L3MBTL1 (0.48) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3641127 0.72 FRK (0.47) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL3638547 0.72 KMT2A (0.45) ALDH1A1LMNAFRKCAMK2BCAMK2G

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 2174/4885MAPT 572/4885RAB9A 2325/4885

“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.