SCHEMBL5368277

SCHEMBL5368277

NCC(C(=O)O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ PRCP P42785 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CCR2 P41597 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SLC18A3 Q16572 5/20 0.38
▸ ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5374122 0.98 AKR1C3 (0.42) AKR1C3AKR1C1NPC1RAB9AKIF11
SCHEMBL1171605 0.84 SLC18A3 (0.47) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL4976355 0.84 SLC18A3 (0.47) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL5324531 0.80 — —
Hydrochloric Acid SCHEMBL16666936 0.78 CPN1 (0.44) KDM4EALDH1A1
SCHEMBL12733110 0.78 GRM1 (0.47) AKR1C3AKR1C1NPC1RAB9AKIF11
SCHEMBL17025330 0.75 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL28171748 0.75 AKR1C3 (0.47) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL20838768 0.75 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL14379229 0.75 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1

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 AKR1C3 1337/4885AKR1C1 1651/4885NPC1 526/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 AKR1C3 349/4885AKR1C1 631/4885NPC1 1017/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 AKR1C3 1337/4885AKR1C1 1651/4885NPC1 526/4885

“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