SCHEMBL2402307

SCHEMBL2402307

COc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)O)=NO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
HPGD P15428 3/20 0.52
CYP3A4 P08684 7/20 0.52
USP2 O75604 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 7/20 0.51
MAPK1 P28482 5/20 0.51
HIF1A Q16665 2/20 0.51
CYP2D6 P10635 7/20 0.50
CYP1A2 P05177 2/20 0.50
GRM3 Q14832 1/20 0.50
TSHR P16473 4/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6409834 0.85 HSD11B1 (0.48)
SCHEMBL6418195 0.85 POLB (0.55) POLBHPGDCYP3A4USP2SMN1; SMN2
SCHEMBL2405152 0.84 HSD11B1 (0.46) POLBGAAMEN1KMT2A
SCHEMBL2402430 0.84 HPGD (0.49) POLBHPGDSMN1; SMN2KMT2A
SCHEMBL2400758 0.84 SLC6A7 (0.44) CYP3A4SMN1; SMN2ALDH1A1CYP2C9CYP2D6
SCHEMBL2399342 0.83 CYP2D6 (0.52) POLBCYP3A4USP2SMN1; SMN2ALDH1A1
SCHEMBL15309117 0.81 EPHX2 (0.54) HPGDCYP3A4USP2SMN1; SMN2CYP2C9
SCHEMBL17966169 0.81 POLB (0.72) POLBHPGDCYP3A4USP2SMN1; SMN2
SCHEMBL15309106 0.81 LMNA (0.51) POLBHPGDUSP2ALDH1A1TSHR
SCHEMBL6410958 0.80 PKM (0.52) POLBCYP3A4USP2ALDH1A1CYP2D6

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-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-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 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
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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 (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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 POLB 3316/4885HPGD 679/4885CYP3A4 3/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 POLB 1636/4885HPGD 443/4885CYP3A4 24/4885

“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.