SCHEMBL1086321

SCHEMBL1086321

Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccc(SC(F)(F)F)cc2)C(=O)O3)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SSTR5 P35346 4/20 0.34
RIPK1 Q13546 1/20 0.34
MGLL Q99685 1/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CHRM4 P08173 1/20 0.33
USP2 O75604 1/20 0.33
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33

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
SCHEMBL1087133 0.88 HPGD (0.46) HPGDTSHRMAPTNPSR1RIPK1
SCHEMBL1086304 0.86 MEN1 (0.41) HPGDTSHRMAPTNPSR1RIPK1
SCHEMBL1086435 0.86 RIPK1 (0.47) TSHRRIPK1MGLL
SCHEMBL1086426 0.84 SSTR5 (0.39) HPGDTSHRMAPTNPSR1SSTR5
SCHEMBL1086650 0.84 EPHX2 (0.47) HPGDTSHRCYP2C9EPHX2USP2
SCHEMBL1086092 0.84 RIPK1 (0.39) MAPTNPSR1SSTR5RIPK1CYP2C9
SCHEMBL1086443 0.84 CYP3A4 (0.46) TSHRCYP2C9USP2
SCHEMBL1086300 0.83 HTT (0.38) MAPTRIPK1CYP2C9GRIN1GRIN2B
SCHEMBL1086958 0.82 USP2 (0.47) TSHRCYP2C9EPHX2USP2
SCHEMBL1087239 0.82 GRIN1 (0.34) SSTR5EPHX2GRIN1GRIN2B

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 HPGD 342/4885TSHR 3698/4885MAPT 3890/4885

“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.