SCHEMBL12003809

SCHEMBL12003809

Cc1ccc(C(CC(=O)N2CCNC(=O)C2)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.53
CACNA1B Q00975 5/20 0.53
CACNB1 Q02641 5/20 0.53
CACNA1C Q13936 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.49
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.42
CACNA1G O43497 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1H O95180 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL12019733 0.94 CACNA2D1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL12818114 0.88 TSHR (0.48) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL5268108 0.88 L3MBTL1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL12003631 0.87 CACNA1B (0.53) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL12003808 0.87 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL12304095 0.86 KMT2A (0.48) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL14817943 0.80 MEN1 (0.52) L3MBTL1TSHRPOLBHPGDPKM
SCHEMBL12003810 0.80 L3MBTL1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1
SCHEMBL12243883 0.77 TSHR (0.55) L3MBTL1TSHRPOLBALDH1A1TDP1
Hydrochloric Acid SCHEMBL6164887 0.75 L3MBTL1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CL3MBTL1

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 4 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 claimed
US-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US claimed
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

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-20120220605-A1 OXOPIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1H, CACNG7, CACNA1I CACNA2D1 34/4885CACNA1B 5/4885CACNB1 89/4885

“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.