SCHEMBL1880871

SCHEMBL1880871

CCCC1=C[C@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNB3 P54284 4/20 0.42
CACNA2D1 P54289 4/20 0.42
CACNA1C Q13936 4/20 0.42

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
SCHEMBL1880872 1.00 CACNB3 (0.42) CACNB3CACNA2D1CACNA1C
SCHEMBL15225426 0.92 CACNB3 (0.41) CACNB3CACNA2D1CACNA1C
SCHEMBL1888894 0.92 CACNB3 (0.41) CACNB3CACNA2D1CACNA1C
SCHEMBL15225424 0.92 CACNB3 (0.41) CACNB3CACNA2D1CACNA1C
SCHEMBL1888895 0.92 CACNB3 (0.41) CACNB3CACNA2D1CACNA1C
Mirogabalin SCHEMBL1814663 0.89 CACNB3 (0.52) CACNB3CACNA2D1CACNA1C
Mirogabalin SCHEMBL18051438 0.89 CACNB3 (0.52) CACNB3CACNA2D1CACNA1C
Mirogabalin SCHEMBL1888046 0.89 CACNB3 (0.52) CACNB3CACNA2D1CACNA1C
Mirogabalin SCHEMBL1814664 0.89 CACNB3 (0.52) CACNB3CACNA2D1CACNA1C
Mirogabalin SCHEMBL1888044 0.89 CACNB3 (0.52) CACNB3CACNA2D1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP claimed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US claimed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP claimed
EP-2657219-A1 Intermediate for producing bicyclic y-amino acid derivative Daiichi Sankyo Company, Limited (JP) 2013-10-30 EP disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 CACNB3 1650/4885CACNA2D1 1728/4885CACNA1C 717/4885

“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.