Sugi Predict

Sugi Predict / Compounds / SCHEMBL2404697

SCHEMBL2404697

SCHEMBL2404697

CCCCCC(=O)N1CCC2(CC1)CC(C(=O)NCC1CC1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 8/20 0.39
▸ GNAO1 P09471 8/20 0.39
▸ GNAI1 P63096 8/20 0.39
▸ EPHX1 P07099 3/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ITGA5 P08648 1/20 0.35

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
SCHEMBL6411980 0.83 EPHX1 (0.37) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL2399855 0.82 NPC1 (0.48) KMT2AITGB3ITGB1ITGAVITGA2B
SCHEMBL2401291 0.81 L3MBTL1 (0.47) GNAI3GNAO1GNAI1L3MBTL1MEN1
SCHEMBL2401228 0.73 HPGD (0.45) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL2400940 0.72 ITGB3 (0.42) MEN1KMT2AITGB3ITGB1ITGAV
SCHEMBL2402983 0.72 L3MBTL1 (0.46) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL2402460 0.72 ITGB3 (0.45) KMT2ACYP2C19ITGB3ITGB1ITGAV
SCHEMBL2584142 0.71 MAPT (0.49) MEN1KMT2AGPR119CYP3A4CYP2C19
SCHEMBL2404620 0.71 NAMPT (0.48) EPHX2KMT2A
SCHEMBL6411672 0.69 L3MBTL1 (0.37) EPHX1EPHX2L3MBTL1MEN1KMT2A

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 5 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
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 GNAI3 3244/4885GNAO1 1319/4885GNAI1 3476/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 GNAI3 3651/4885GNAO1 1163/4885GNAI1 3383/4885

“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.