SCHEMBL2401617

SCHEMBL2401617

CC(C)CNC(=O)C1=NOC2(CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGB1 P05556 9/20 0.41
ITGAV P06756 9/20 0.41
ITGA2B P08514 9/20 0.41
ITGA5 P08648 8/20 0.41
CNR2 P34972 1/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2400819 0.91 LMNA (0.43) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2400848 0.77 SLC6A9 (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2399133 0.75 AVPR1A (0.45) POLBLMNAMEN1ALDH1A1KMT2A
SCHEMBL6409583 0.75 MAPK1 (0.46) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2402632 0.73 ALDH1A1 (0.62) POLBMAPK1SMN1; SMN2MEN1ALDH1A1
SCHEMBL2399881 0.73 LMNA (0.44) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2580957 0.73 ALDH1A1 (0.47) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2400331 0.72 KDM4E (0.54) POLBMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL2401042 0.72 CYP3A4 (0.42) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2399175 0.71 KMT2A (0.47) ITGB3ITGB1ITGAVITGA2BITGA5

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 ITGB3 2298/4885ITGB1 2520/4885ITGAV 2596/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ITGB3 3411/4885ITGB1 3180/4885ITGAV 3949/4885

“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.