SCHEMBL3635601

SCHEMBL3635601

CCCC(=O)c1ccc(NCc2ccc(N(C)C)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
FRK P42685 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
HSD17B3 P37058 1/20 0.40
HCAR3 P49019 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SLC27A1 Q6PCB7 1/20 0.38

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
SCHEMBL3636770 0.82 FRK (0.47) L3MBTL1NPC1ALDH1A1MAPTRAB9A
SCHEMBL3637302 0.82 MAPT (0.50) L3MBTL1ALDH1A1MAPTRAB9AFRK
SCHEMBL3634572 0.81 HDAC1 (0.51) NPC1MAPTRAB9AFRKCAMK2B
SCHEMBL3635599 0.80 P4HTM (0.50) L3MBTL1NPC1ALDH1A1MAPTRAB9A
SCHEMBL3635242 0.80 FRK (0.54) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL3638402 0.79 SMN1; SMN2 (0.51) L3MBTL1NPC1RAB9AFRKCAMK2B
SCHEMBL4735456 0.76 AURKA (0.57) L3MBTL1ALDH1A1MAPTRAB9ACTNNB1
SCHEMBL3634267 0.76 ALDH1A1 (0.59) ALDH1A1MAPTTRPV1NAMPTHDAC3
SCHEMBL3638699 0.76 HPGDS (0.52) MAPTFRKCAMK2BCAMK2GCAMK2D
SCHEMBL3636391 0.76 AOC3 (0.46) L3MBTL1NPC1ALDH1A1MAPTRAB9A

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 L3MBTL1 4483/4885NPC1 2174/4885ALDH1A1 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.