SCHEMBL6232006

SCHEMBL6232006

CC(COCF)CC(CN)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.58
CACNB3 P54284 1/20 0.58
CACNA1C Q13936 1/20 0.58
PGR P06401 1/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
CACNA2D2 Q9NY47 1/20 0.58
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3111100 1.00 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913611 1.00 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14895528 0.90 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3115709 0.90 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1914153 0.90 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3124700 0.90 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3125513 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6902208 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913694 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1914024 0.86 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
US-10543181-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2020-01-28 US disclosed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP disclosed
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 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 (1 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-10543181-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 CACNA2D1 4227/4885CACNB3 2185/4885CACNA1C 3005/4885

“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.