SCHEMBL2402277

SCHEMBL2402277

CCOC(=O)CNC(=O)C1=NOC2(CCN(C(=O)c3ccccc3OCC)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
NOD2 Q9HC29 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.41
EPHX2 P34913 2/20 0.41
HCN1 O60741 4/20 0.40
HCN4 Q9Y3Q4 4/20 0.40
HCRTR1 O43613 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCRTR2 O43614 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL6417790 0.90 NPSR1 (0.53) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL2402798 0.78 HTR1A (0.42) HTTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2400946 0.78 NPSR1 (0.56) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL15309109 0.73 NPSR1 (0.60) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL2400710 0.72 ATM (0.43) HTTTDP1SMN1; SMN2ALDH1A1
SCHEMBL2399181 0.71 GPR119 (0.41) LMNASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL2399133 0.70 AVPR1A (0.45) CHRM2HTTLMNAALDH1A1
SCHEMBL2399175 0.70 KMT2A (0.47) LMNAKDM4EALDH1A1
SCHEMBL11715064 0.70 NPSR1 (0.81) NPSR1CHRM2CHRM3NOD2HTT
SCHEMBL2402955 0.70 KMT2A (0.47) NPSR1HTTLMNAKDM4ETSHR

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 NPSR1 2599/4885CHRM2 3451/4885CHRM3 3388/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 NPSR1 2694/4885CHRM2 3335/4885CHRM3 3337/4885

“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.