SCHEMBL2955097

SCHEMBL2955097

CC(C)(C)N(CC(O)C1CCNCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
OPRD1 P41143 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
PMP22 Q01453 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 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
SCHEMBL5065098 0.81 PIK3CD (0.36) TSHR
SCHEMBL23826669 0.76 CPN1 (0.33) CPN1CPB2
SCHEMBL927784 0.73 GABRA5 (0.39) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL345654 0.72 GABRA5 (0.38) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL4000568 0.72 CPN1 (0.36) CPN1CPB2OPRD1SLC6A2SLC6A4
SCHEMBL23826437 0.71 GABRA5 (0.34) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL21929888 0.70 DPP4 (0.33)
SCHEMBL27166484 0.70 ITGB3 (0.41) CPN1CPB2GABRA1GABRA5GABRB2
SCHEMBL20974178 0.69 MEN1 (0.34)
SCHEMBL9129576 0.69 MEN1 (0.34)

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-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 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 (2 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-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC CPN1 2144/4885CPB2 3285/4885OPRD1 1138/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC CPN1 2144/4885CPB2 3285/4885OPRD1 1138/4885

“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.