SCHEMBL2794839

SCHEMBL2794839

Cc1ccccc1C(CC(=O)O)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 16/20 0.49
▸ ACP3 P15309 1/20 0.46
▸ GABBR2 O75899 1/20 0.46
▸ GABBR1 Q9UBS5 1/20 0.46

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
SCHEMBL28062031 0.90 HPGD (0.51) CTSAACP3GABBR2GABBR1
SCHEMBL658439 0.90 GABBR2 (0.48) CTSAACP3GABBR2GABBR1
SCHEMBL30781885 0.90 GABBR2 (0.48) CTSAACP3GABBR2GABBR1
SCHEMBL14081313 0.85 CTSA (0.45) CTSAGABBR2GABBR1
SCHEMBL29048166 0.84 ALDH1A1 (0.45) CTSAACP3GABBR2GABBR1
SCHEMBL6841260 0.84 FFAR1 (0.49) CTSAACP3
SCHEMBL5720952 0.84 CTSA (0.47) CTSAACP3GABBR2GABBR1
SCHEMBL2320833 0.84 CTSA (0.47) CTSAACP3GABBR2GABBR1
SCHEMBL2320843 0.84 CTSA (0.47) CTSAACP3GABBR2GABBR1
SCHEMBL3448381 0.84 CTSA (0.47) CTSAACP3

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-8629149-B2 Oxopiperazine derivatives for the treatment of pain and epilepsy ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-14 — — US disclosed
US-8629149-B2 Oxopiperazine derivatives for the treatment of pain and epilepsy ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-14 — — US disclosed
US-8629149-B2 Oxopiperazine derivatives for the treatment of pain and epilepsy ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-14 — — US disclosed
US-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 — — US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 — — US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 — — US disclosed
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 — — WO disclosed
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 — — WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 — — US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 — — US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 — — US disclosed
EP-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 — — EP disclosed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 — — 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-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, ORAI1 CTSA 272/4885ACP3 1368/4885GABBR2 283/4885
US-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1H, CACNG7, CACNA1I CTSA 2004/4885ACP3 899/4885GABBR2 535/4885
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CTSA 192/4885ACP3 1473/4885GABBR2 274/4885

“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.

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