SCHEMBL2400917

SCHEMBL2400917

O=C(O)C1=NOC2(CCN(C(=O)c3ccccc3Cl)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
HPGD P15428 2/20 0.44
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.44
P2RX7 Q99572 2/20 0.44
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6409626 0.89 HPGD (0.41) RAB9AALDH1A1HPGDMGLLP2RX7
SCHEMBL15309126 0.85 POLB (0.53) ALDH1A1CYP2C9CYP2C19HPGDKDM4E
SCHEMBL6413248 0.84 AVPR1A (0.54) ALDH1A1KDM4EKMT2AJAK2JAK1
SCHEMBL6411430 0.84 RAB9A (0.47) RAB9AALDH1A1RXFP1CYP2C9CYP2C19
SCHEMBL15309195 0.82 KMT2A (0.45) ALDH1A1MGLLKDM4EKMT2AEPHX2
SCHEMBL15309174 0.81 ALDH1A1 (0.44) RAB9AALDH1A1KMT2APOLBLMNA
SCHEMBL25331880 0.81 RXFP1 (0.59) RAB9AALDH1A1RXFP1CYP2C9CYP2C19
SCHEMBL2399685 0.80 SMN1; SMN2 (0.43) RAB9AKMT2AP2RX7GAAEPHX2
SCHEMBL2400070 0.79 PKM (0.49) ALDH1A1MGLLKDM4EKMT2AEPHX2
SCHEMBL2575305 0.79 SMN1; SMN2 (0.45) ALDH1A1CYP2C9CYP2C19HPGDKDM4E

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 5 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-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 RAB9A 2779/4885ALDH1A1 412/4885RXFP1 1067/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 RAB9A 2221/4885ALDH1A1 156/4885RXFP1 1552/4885

“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.