SCHEMBL6413248

SCHEMBL6413248

O=C(O)C1=NOC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.54
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
CCR5 P51681 3/20 0.46
USP2 O75604 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TACR1 P25103 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2400917 0.84 RAB9A (0.49) ALDH1A1LMNAJAK2JAK1MEN1
SCHEMBL2399133 0.82 AVPR1A (0.45) AVPR1AALDH1A1LMNACCR5JAK2
SCHEMBL6409626 0.80 HPGD (0.41) ALDH1A1USP2
SCHEMBL2401537 0.80 AVPR1A (0.43) AVPR1AALDH1A1LMNACCR5JAK2
SCHEMBL15309106 0.80 LMNA (0.51) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL15309126 0.79 POLB (0.53) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL15309148 0.78 KMT2A (0.57) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL2400887 0.78 AVPR1A (0.54) AVPR1AALDH1A1LMNACCR5USP2
SCHEMBL15309149 0.77 TDP1 (0.44) ALDH1A1MEN1KMT2APOLB
SCHEMBL2400070 0.75 PKM (0.49) ALDH1A1MEN1KMT2AKDM4EPOLB

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-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
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

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 AVPR1A 557/4885ALDH1A1 412/4885LMNA 2583/4885

“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.