SCHEMBL1086756

SCHEMBL1086756

O=C1OC2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CN1Cc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.42
TACR1 P25103 2/20 0.40
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
RIPK1 Q13546 1/20 0.39
TACR2 P21452 1/20 0.38
OPRL1 P41146 1/20 0.38
GRM2 Q14416 1/20 0.38
SPR P35270 1/20 0.37
MMP13 P45452 1/20 0.37
HDAC1 Q13547 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
SCHEMBL1086445 0.88 P2RX7 (0.40) TACR1TACR2
SCHEMBL1086448 0.85 TACR1 (0.40) TACR1NPC1GLAHPGDRIPK1
SCHEMBL1086470 0.85 FAAH (0.42) TACR1TACR2GRM2MMP13HDAC1
SCHEMBL4486191 0.84 MMP13 (0.40) TACR1TACR2GRM2MMP13HDAC1
SCHEMBL1086202 0.83 TACR1 (0.44) TACR1NPC1GLAHPGDRIPK1
SCHEMBL4259054 0.83 MEN1 (0.42) TACR1NPC1HPGDRIPK1TACR2
SCHEMBL1086489 0.83 ALDH1A1 (0.46) NPC1HPGDRIPK1HDAC1
SCHEMBL1086587 0.83 MEN1 (0.43) NPC1HPGDRIPK1HDAC1
SCHEMBL4486194 0.82 TACR2 (0.41) TACR1TACR2OPRL1GRM2MMP13
SCHEMBL1086551 0.81 TACR1 (0.42) TACR1NPC1GLAHPGDRIPK1

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 10 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
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 claimed
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 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 CCR3 636/4885TACR1 1796/4885NPC1 2536/4885

“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.