SCHEMBL2401835

SCHEMBL2401835

O=C(NC1CCCC1OCc1ccccc1)C1=NOC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 12/20 0.42
AXL P30530 9/20 0.42
MET P08581 1/20 0.42
TYRO3 Q06418 1/20 0.42
P2RX7 Q99572 1/20 0.41
PTGES O14684 3/20 0.40
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL2402565 0.89 MERTK (0.42) MERTKAXLMETTYRO3P2RX7
SCHEMBL6411506 0.87 P2RX7 (0.41) MERTKAXLMETTYRO3P2RX7
SCHEMBL2401891 0.87 MEN1 (0.42) MERTKAXLMETTYRO3P2RX7
SCHEMBL2400825 0.87 POLB (0.41) MERTKAXLMETTYRO3P2RX7
SCHEMBL6411128 0.86 MERTK (0.44) MERTKAXLMETTYRO3P2RX7
SCHEMBL2579252 0.86 ALDH1A1 (0.43) MERTKAXLMETTYRO3P2RX7
SCHEMBL2403325 0.85 KCNA5 (0.51) MERTKAXLMETTYRO3ALDH1A1
SCHEMBL2400321 0.85 LMNA (0.45) MERTKAXLMETTYRO3P2RX7
SCHEMBL2400337 0.85 LMNA (0.45) MERTKAXLMETTYRO3P2RX7
SCHEMBL2400801 0.84 MERTK (0.47) MERTKAXLMETTYRO3P2RX7

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 MERTK 1544/4885AXL 1732/4885MET 4101/4885

“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.