SCHEMBL2400764

SCHEMBL2400764

O=C(NC1CCN(C(=O)O)CC1)C1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 4/20 0.42
CACNA1B Q00975 2/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL2401265 0.90 KDM4E (0.53) CNR1LMNAL3MBTL1HTTMAPT
SCHEMBL6410200 0.84 KDM4E (0.44) CNR1LMNAL3MBTL1HTTMAPT
SCHEMBL6411431 0.83 HTT (0.51) CNR1LMNAL3MBTL1HTTGAA
SCHEMBL2399309 0.83 KMT2A (0.47) CNR1LMNAL3MBTL1HTTMAPT
SCHEMBL2400790 0.81 GAA (0.51) CNR1LMNAL3MBTL1HTTGAA
SCHEMBL2402766 0.79 HTT (0.42) LMNAL3MBTL1HTTMAPTGAA
SCHEMBL2403572 0.79 KMT2A (0.41) CNR1LMNAL3MBTL1GAAKMT2A
SCHEMBL15309168 0.78 SMN1; SMN2 (0.45) LMNAL3MBTL1HTTGAAKMT2A
SCHEMBL2400386 0.77 KMT2A (0.47) CNR1LMNAL3MBTL1HTTMAPT
SCHEMBL6411436 0.77 GAA (0.50) CNR1LMNAL3MBTL1HTTGAA

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 3 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 CNR1 1593/4885LMNA 1973/4885L3MBTL1 4865/4885

“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.