SCHEMBL2403236

SCHEMBL2403236

C=CCOC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 2/20 0.39
CNR2 P34972 2/20 0.39
F13A1 P00488 4/20 0.36
TGM2 P21980 4/20 0.36
TGM1 P22735 4/20 0.36
TGM3 Q08188 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2404636 0.75 ATM (0.43) ALDH1A1MAPTCYP2C9CNR2ATM
SCHEMBL6409831 0.73 ATM (0.55) ALDH1A1MAPTATMGAASMN1; SMN2
SCHEMBL2403568 0.72 NAMPT (0.42) ALDH1A1MAPTCYP2C9ATMSMN1; SMN2
SCHEMBL2399296 0.72 L3MBTL1 (0.49) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL2400043 0.71 USP2 (0.42) ALDH1A1MAPTATMGAASMN1; SMN2
SCHEMBL2400054 0.69 DDR1 (0.40) ALDH1A1MAPTATMSMN1; SMN2LMNA
SCHEMBL2400030 0.69 NPSR1 (0.44) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL2402616 0.69 KMT2A (0.38) ALDH1A1MAPTATMSMN1; SMN2LMNA
SCHEMBL2400978 0.68 PKM (0.42) ALDH1A1MAPTATMSMN1; SMN2GPR119
SCHEMBL2580555 0.68 KMT2A (0.43) ALDH1A1MAPTATMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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 ALDH1A1 412/4885MAPT 4329/4885CYP2C9 59/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885MAPT 3594/4885CYP2C9 50/4885

“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.