SCHEMBL2399298

SCHEMBL2399298

O=C(O)C1=NOC2(CCN(C(=O)CCCOc3ccccc3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
HPGD P15428 4/20 0.56
MAPT P10636 5/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6419550 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2399855 0.85 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2405040 0.82 PKM (0.47) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL15309154 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL2401291 0.79 L3MBTL1 (0.47) MAPTALDH1A1KMT2APOLBL3MBTL1
SCHEMBL2400832 0.78 GPR119 (0.37) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL6411868 0.77 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6411459 0.77 FKBP1A (0.58) SMN1; SMN2HPGDMAPTGAAALDH1A1
SCHEMBL2404903 0.77 GRM5 (0.52) ALDH1A1
SCHEMBL6415283 0.76 PKM (0.45) RAB9ANPC1SMN1; SMN2HPGDMAPT

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 RAB9A 2779/4885NPC1 2236/4885SMN1; SMN2 1584/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 RAB9A 2221/4885NPC1 1644/4885SMN1; SMN2 1407/4885

“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.