SCHEMBL2403572

SCHEMBL2403572

O=C(NC1CCCC1OCc1ccccc1)C1=NOC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CCR2 P41597 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MERTK Q12866 5/20 0.39
AXL P30530 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6409402 0.90 KMT2A (0.42) KMT2AMEN1CCR2CNR1LMNA
SCHEMBL2400825 0.87 POLB (0.41) SMN1; SMN2ALDH1A1MERTKAXL
SCHEMBL2401891 0.86 MEN1 (0.42) KMT2AMEN1ALDH1A1MERTKAXL
SCHEMBL2403325 0.84 KCNA5 (0.51) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL2401835 0.83 MERTK (0.42) ALDH1A1MERTKAXL
SCHEMBL2579252 0.82 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL2402565 0.82 MERTK (0.42) ALDH1A1MERTKAXL
SCHEMBL2400337 0.81 LMNA (0.45) LMNASMN1; SMN2MERTKAXLL3MBTL1
SCHEMBL2400321 0.81 LMNA (0.45) LMNASMN1; SMN2MERTKAXLL3MBTL1
SCHEMBL6411128 0.80 MERTK (0.44) MERTKAXL

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 KMT2A 3636/4885MEN1 2995/4885CCR2 1677/4885

“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.