SCHEMBL1086329

SCHEMBL1086329

Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)CN(Cc1ccc(C#N)cc1)C(=O)O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
USP2 O75604 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP3A4 P08684 8/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 4/20 0.39
TSHR P16473 3/20 0.39
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
FASN P49327 2/20 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
SCHEMBL1086908 0.91 GRIN1 (0.40) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4
SCHEMBL1087077 0.86 GRIN1 (0.41)
SCHEMBL1086467 0.85 GRIN1 (0.37) ALDH1A1
SCHEMBL1085955 0.83 GRIN1 (0.41) USP2MEN1KMT2AALDH1A1
SCHEMBL1085854 0.82 HPGD (0.44) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4
SCHEMBL1086138 0.82 GRIN1 (0.39) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL1086714 0.79 USP2 (0.44) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4
SCHEMBL1086190 0.78 ALDH1A1 (0.42) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4
SCHEMBL1086337 0.78 CYP3A4 (0.48) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4
SCHEMBL1086696 0.78 HIF1A (0.48) SMN1; SMN2USP2CYP2D6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC SMN1; SMN2 3067/4885USP2 2747/4885CYP2D6 42/4885

“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.