SCHEMBL6409626

SCHEMBL6409626

O=C(O)C1=NOC2(CCN(C(=O)c3cccc(Cl)c3F)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
AURKA O14965 8/20 0.41
AURKB Q96GD4 8/20 0.41
P2RX7 Q99572 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE2A O00408 1/20 0.37
EPHX2 P34913 1/20 0.37

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 0.89 RAB9A (0.49) HPGDP2RX7MGLLALDH1A1HSD11B1
SCHEMBL6409627 0.85 HPGD (0.40) HPGDUSP2AURKAAURKBP2RX7
SCHEMBL15309158 0.81 HPGD (0.54) HPGDUSP2ALDH1A1ACACBNPC1
SCHEMBL15309126 0.81 POLB (0.53) HPGDALDH1A1ACACB
SCHEMBL2401308 0.81 HPGD (0.41) HPGDALDH1A1
SCHEMBL6413248 0.80 AVPR1A (0.54) USP2ALDH1A1
SCHEMBL6413687 0.79 HTR1A (0.48)
SCHEMBL2400039 0.79 HPGD (0.44) HPGDUSP2AURKAAURKBP2RX7
SCHEMBL15309195 0.78 KMT2A (0.45) MGLLALDH1A1EPHX2
SCHEMBL2400070 0.78 PKM (0.49) MGLLALDH1A1ACACBHSD11B1EPHX2

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 4 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

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 HPGD 679/4885USP2 3195/4885AURKA 3540/4885

“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.