SCHEMBL5368777

SCHEMBL5368777

Cc1ccc(CCC(CN)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ DPP4 P27487 1/20 0.43
▸ FFAR1 O14842 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ GRIK1 P39086 2/20 0.40
▸ GRIK2 Q13002 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
SCHEMBL12400797 0.89 FFAR1 (0.47) CYP1A2CYP2A6TAAR1DPP4FFAR1
SCHEMBL4993916 0.86 DPP4 (0.41) CYP1A2CYP2A6TAAR1DPP4FFAR1
SCHEMBL10327379 0.84 CPA3 (0.50) CYP1A2FFAR1ANPEPERAP1
SCHEMBL7390788 0.84 GRIK1 (0.54) CYP1A2ANPEPERAP1GRIK1
SCHEMBL4992482 0.84 CYP1A2 (0.39) CYP1A2CYP2A6TAAR1DPP4FFAR1
SCHEMBL7292753 0.83 ALDH1A1 (0.49) CYP1A2L3MBTL1ANPEPMETAP2METAP1
SCHEMBL7992466 0.83 PPARG (0.48) CYP1A2TAAR1DPP4
SCHEMBL4619838 0.82 CYP1A2 (0.52) CYP1A2ANPEP
SCHEMBL31344386 0.82 CYP1A2 (0.52) CYP1A2ANPEP
SCHEMBL5365696 0.82 LDHA (0.54) TAAR1FFAR1NPC1RAB9A

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 16 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
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 CYP1A2 882/4885CYP2A6 634/4885TAAR1 2972/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 CYP1A2 586/4885CYP2A6 463/4885TAAR1 2087/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 CYP1A2 882/4885CYP2A6 634/4885TAAR1 2972/4885

“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.

Send feedback