SCHEMBL13092243

SCHEMBL13092243

Cc1cnc2c(c1)cc(C(=O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
NR1H2 P55055 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
CCR9 P51686 6/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL5220970 0.85 NOD2 (0.40) GABRG2GABRB3GABRA5KMT2AMEN1
SCHEMBL13204737 0.81 GABRG2 (0.34) GABRG2GABRB3GABRA5AURKACDK2
SCHEMBL18416826 0.80 FAAH (0.36) GABRG2GABRB3GABRA5AURKACDK2
SCHEMBL2877718 0.78 SRD5A2 (0.49) KMT2AMEN1HPGDHSD17B10
SCHEMBL4549881 0.78 AURKA (0.40) GABRG2GABRB3GABRA5AURKACDK2
SCHEMBL2875438 0.74 NOD2 (0.37) GABRG2GABRB3GABRA5NR1H2KMT2A
SCHEMBL5223580 0.73 HPGD (0.38) GABRG2GABRB3GABRA5NR1H2HPGD
SCHEMBL2875278 0.73 HRH3 (0.42)
SCHEMBL23926520 0.73 CDK2 (0.48) GABRG2GABRB3GABRA5AURKACDK2
SCHEMBL22130269 0.72 GABRG2 (0.36) GABRG2GABRB3GABRA5AURKACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7786109-B2 Tricyclic amide derivatives as modulators of H3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7579351-B2 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090156583-A1 Tricyclic Amide Derivatives NETTEKOVEN MATTHIAS 2009-06-18 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
US-20070135416-A1 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. 2007-06-14 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 (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-20090156583-A1 Tricyclic Amide Derivatives HRH4, HRH3, HCAR1 GABRG2 627/4885GABRB3 513/4885GABRA5 332/4885
US-20070135416-A1 Tricyclic amide derivatives HRH4, HRH3, HCAR1 GABRG2 627/4885GABRB3 513/4885GABRA5 332/4885
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 GABRG2 750/4885GABRB3 379/4885GABRA5 172/4885

“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.