SCHEMBL6409623

SCHEMBL6409623

NC(=O)[CH]C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.56
NPC1 O15118 10/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL31162428 0.83 FYN (0.62) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1380888 0.83 FYN (0.62) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL516845 0.80 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL15309134 0.79 RAB9A (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1032426 0.77 RAB9A (0.61) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL13381356 0.77 LPAR2 (0.67) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL11586886 0.77 LPAR2 (0.67) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL21515098 0.77 LPAR2 (0.67) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9547503 0.76 RAB9A (0.89) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3060443 0.75 RAB9A (0.54) RAB9ANPC1MAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
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
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 RAB9A 2779/4885NPC1 2236/4885MAPT 4329/4885

“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.