SCHEMBL2402798

SCHEMBL2402798

CCOC(=O)CNC(=O)C1=NOC2(CCN(C(=O)c3sccc3Cl)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MLYCD O95822 1/20 0.35
MAPT P10636 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTK2B Q14289 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 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
SCHEMBL6409354 0.88 HTR1A (0.44) HTR1AGPR119ALDH1A1HRH2HRH1
SCHEMBL15309144 0.84 HTR1A (0.40) HTR1AGPR119ALDH1A1HRH2HRH1
SCHEMBL15309145 0.78 HTR1A (0.39) HTR1AGPR119ALDH1A1HRH2HRH1
SCHEMBL2402277 0.78 NPSR1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL2401305 0.73 MLYCD (0.37) HTR1AGPR119ALDH1A1MLYCDKDM4E
SCHEMBL2399181 0.70 GPR119 (0.41) GPR119ALDH1A1HPGDMLYCDKDM4E
SCHEMBL2575305 0.69 SMN1; SMN2 (0.45) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL2401042 0.68 CYP3A4 (0.42) ALDH1A1MLYCDMAPTSMN1; SMN2KMT2A
SCHEMBL6417790 0.67 NPSR1 (0.53) KDM4ELMNASMN1; SMN2HTTRAB9A
SCHEMBL2400990 0.67 POLB (0.57) ALDH1A1KDM4EKMT2AMEN1

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
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 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 HTR1A 1101/4885GPR119 628/4885ALDH1A1 412/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 HTR1A 1928/4885GPR119 883/4885ALDH1A1 156/4885

“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.