SCHEMBL6070329

SCHEMBL6070329

COC(=O)CC(N)(c1ccc2ccccc2n1)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MGAM O43451 1/20 0.38
ALOX5AP P20292 2/20 0.37
ALOX5 P09917 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6071021 0.89 KMT2A (0.37) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL6071177 0.79 KDM4E (0.42) TSHRKMT2AKDM4ELMNAMGAM
SCHEMBL6070971 0.72 MEN1 (0.44) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL6071538 0.70 CCR1 (0.39) GAAALDH1A1MAPTHPGDTSHR
SCHEMBL30879955 0.70 KDM4E (0.45) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL14419939 0.70 KMT2A (0.44) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL9836053 0.68 LMNA (0.49) ALDH1A1MAPTHPGDNPSR1KMT2A
SCHEMBL28623257 0.67 MGAM (0.47) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL30771873 0.67 MGAM (0.47) GAAALDH1A1MAPTHPGDNPSR1
SCHEMBL6071145 0.66 TACR3 (0.44) GAAALDH1A1HPGDNPSR1PRNP

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 GAA 1733/4885ALDH1A1 645/4885MAPT 1994/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 GAA 1402/4885ALDH1A1 414/4885MAPT 1732/4885

“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.