SCHEMBL2402246

SCHEMBL2402246

CC(=O)NCCNC(=O)C1=NOC2(CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.39
CNR1 P21554 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL2404658 0.90 POLB (0.41) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL2585376 0.86 ALDH1A1 (0.56) TP53SMN1; SMN2MAPK1KDM4EKMT2A
SCHEMBL6414941 0.85 TP53 (0.38) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL6409984 0.85 SMN1; SMN2 (0.46) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL2404605 0.77 L3MBTL1 (0.47) MAPTSMN1; SMN2HTTRAB9AALDH1A1
SCHEMBL6411317 0.76 TP53 (0.41) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL6410922 0.76 POLB (0.38) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL2400766 0.75 L3MBTL1 (0.45) TP53MAPTSMN1; SMN2MAPK1HTT
SCHEMBL6411653 0.74 ALDH1A1 (0.50) TP53MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL2400977 0.72 ALDH1A1 (0.48) TP53SMN1; SMN2MAPK1HTTRAB9A

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-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 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

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 TP53 3433/4885MAPT 3594/4885SMN1; 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.