SCHEMBL5370906

SCHEMBL5370906

CC(C)(C)C1CCC(C(C)(N)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
GRM2 Q14416 1/20 0.45
GLA P06280 1/20 0.40
EPHX2 P34913 1/20 0.40
LIPA P38571 1/20 0.39
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 4/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL5370903 1.00 EPHX1 (0.46) EPHX1GRM2GLAEPHX2LIPA
Hydrochloric Acid SCHEMBL8153025 0.98 EPHX1 (0.44) EPHX1GRM2GLAEPHX2LIPA
Hydrochloric Acid SCHEMBL8153030 0.98 EPHX1 (0.44) EPHX1GRM2GLAEPHX2LIPA
Hydrochloric Acid SCHEMBL5413910 0.98 EPHX1 (0.44) EPHX1GRM2GLAEPHX2LIPA
SCHEMBL26777875 0.93
SCHEMBL5323379 0.93
SCHEMBL4513896 0.93
Hydrochloric Acid SCHEMBL361546 0.91 GRM2 (0.48) EPHX1GRM2GLAEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL361545 0.91 GRM2 (0.48) EPHX1GRM2GLAEPHX2ALDH1A1
SCHEMBL8908898 0.84 GRM2 (0.44) EPHX1GRM2ALDH1A1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 EPHX1 141/4885GRM2 105/4885GLA 924/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 EPHX1 358/4885GRM2 136/4885GLA 2377/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 EPHX1 141/4885GRM2 105/4885GLA 924/4885

“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.