SCHEMBL2399685

SCHEMBL2399685

O=C(Nc1ccccc1)C1=NOC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
EPHX2 P34913 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 2/20 0.41
P2RX7 Q99572 8/20 0.41
JAK1 P23458 1/20 0.40
HTT P42858 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
AURKA O14965 1/20 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
SCHEMBL6409565 0.84 GAA (0.41) SMN1; SMN2GAAKMT2ARAB9AEPHX2
SCHEMBL2402460 0.82 ITGB3 (0.45) GAAKMT2AP2RX7
SCHEMBL2400917 0.80 RAB9A (0.49) GAAKMT2ARAB9AEPHX2MEN1
SCHEMBL2401980 0.79 TSHR (0.46) KMT2AMEN1HTT
SCHEMBL6409626 0.76 HPGD (0.41) RAB9AEPHX2NPC1P2RX7AURKA
SCHEMBL2584142 0.76 MAPT (0.49) SMN1; SMN2GAAKMT2AMEN1JAK2
SCHEMBL2575305 0.74 SMN1; SMN2 (0.45) SMN1; SMN2EPHX2HTT
SCHEMBL5126435 0.72 TRPV1 (0.55) GAA
SCHEMBL2401414 0.72 GAA (0.48) GAAP2RX7
SCHEMBL6413248 0.72 AVPR1A (0.54) SMN1; SMN2KMT2AMEN1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 1584/4885GAA 2363/4885KMT2A 3833/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 SMN1; SMN2 1407/4885GAA 1186/4885KMT2A 3636/4885

“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.