SCHEMBL6415231

SCHEMBL6415231

CN(C)c1cccc(C(=O)N2CCC3(CC2)CC(C(=O)O)=NO3)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ABL1 P00519 5/20 0.48
BCR P11274 5/20 0.48
LMNA P02545 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
HSD11B1 P28845 1/20 0.47
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
NAMPT P43490 1/20 0.41
GAA P10253 1/20 0.40
FYN P06241 1/20 0.40
CCR5 P51681 1/20 0.40
CACNA1B Q00975 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL6418199 0.85 MAPT (0.48) MAPTABL1BCRLMNASCN5A
SCHEMBL2400070 0.84 PKM (0.49) HSD11B1ACACBACACA
SCHEMBL2577788 0.82 LMNA (0.43) MAPTABL1BCRLMNASCN5A
SCHEMBL2400087 0.79 MAPT (0.52) MAPTABL1BCRLMNASCN5A
SCHEMBL15309106 0.79 LMNA (0.51) MAPTLMNAGAAHTR1A
SCHEMBL15309164 0.78 ACACB (0.40) ACACBACACA
SCHEMBL6410049 0.77 HPGD (0.43) ACACBACACA
SCHEMBL2405152 0.76 HSD11B1 (0.46) HSD11B1GAA
SCHEMBL2402430 0.76 HPGD (0.49) ABL1BCRLMNAHSD11B1
SCHEMBL6413687 0.76 HTR1A (0.48) HTR1A

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
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 MAPT 4329/4885ABL1 4209/4885BCR 4283/4885

“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.