SCHEMBL2400825

SCHEMBL2400825

O=C(NC1CCCC1OCc1ccccc1)C1=NOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
MERTK Q12866 10/20 0.39
AXL P30530 8/20 0.39
MET P08581 1/20 0.39
TYRO3 Q06418 1/20 0.39
KCNA5 P22460 1/20 0.39
PTGES O14684 3/20 0.38
PTGS2 P35354 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38

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
SCHEMBL2401891 0.92 MEN1 (0.42) P2RX7MERTKAXLMETTYRO3
SCHEMBL2403325 0.91 KCNA5 (0.51) POLBMERTKAXLMETTYRO3
SCHEMBL6411302 0.88 P2RX7 (0.40) POLBP2RX7KCNA5PTGESPTGS2
SCHEMBL2403572 0.87 KMT2A (0.41) MERTKAXLALDH1A1SMN1; SMN2
SCHEMBL2401835 0.87 MERTK (0.42) P2RX7MERTKAXLMETTYRO3
SCHEMBL2579252 0.86 ALDH1A1 (0.43) POLBP2RX7MERTKAXLMET
SCHEMBL2402565 0.85 MERTK (0.42) P2RX7MERTKAXLMETTYRO3
SCHEMBL2400337 0.85 LMNA (0.45) P2RX7MERTKAXLMETTYRO3
SCHEMBL2400321 0.85 LMNA (0.45) P2RX7MERTKAXLMETTYRO3
SCHEMBL6411128 0.83 MERTK (0.44) P2RX7MERTKAXLMETTYRO3

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 POLB 1636/4885P2RX7 1853/4885MERTK 1544/4885

“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.