SCHEMBL5368097

SCHEMBL5368097

CC1CCC(C(CN)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.40
CPN1 P15169 4/20 0.40
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL5324531 0.89
SCHEMBL5592421 0.89 EPHX1 (0.36) CPB2CPN1ALDH1A1ALOX5
Hydrochloric Acid SCHEMBL16666936 0.87 CPN1 (0.44) CPB2CPN1ALDH1A1ALOX5CYP2C9
Hydrochloric Acid SCHEMBL7646882 0.87 EPHX1 (0.35) CPB2CPN1ALDH1A1ALOX5
SCHEMBL2532059 0.82 CPN1 (0.41) CPB2CPN1ALDH1A1CYP2C9CYP2C19
SCHEMBL4635154 0.81 ALDH1A1 (0.52) CPB2CPN1ALDH1A1CYP2C9CYP2C19
SCHEMBL31109132 0.80 CPN1 (0.39) CPB2CPN1ALDH1A1CYP2C9CYP2C19
SCHEMBL5378239 0.79 CPB2 (0.37) CPB2CPN1ALDH1A1ALOX5CYP2C9
SCHEMBL31344404 0.79 ALDH1A1 (0.55) CPB2CPN1ALDH1A1CYP2C9CYP2C19
SCHEMBL1199676 0.79 ALDH1A1 (0.55) CPB2CPN1ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US claimed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US claimed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US claimed
JP-2001515483-A 2001-09-18 JP claimed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP claimed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 WO claimed
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
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
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 CPB2 723/4885CPN1 1917/4885ALDH1A1 712/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 CPB2 409/4885CPN1 1128/4885ALDH1A1 432/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 CPB2 723/4885CPN1 1917/4885ALDH1A1 712/4885

“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.