Sugi Predict

Sugi Predict / Compounds / SCHEMBL1086478

SCHEMBL1086478

SCHEMBL1086478

O=C1OC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CN1Cc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ KCNJ1 P48048 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TACR2 P21452 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTT P42858 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
SCHEMBL1085872 0.81 KCNH2 (0.49) ALDH1A1LMNATACR2TACR1
SCHEMBL1086454 0.78 ALDH1A1 (0.46) ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2
SCHEMBL1086172 0.77 TACR2 (0.42) ALDH1A1TACR2TACR1SIGMAR1
SCHEMBL1086782 0.76 TACR2 (0.42) TACR2TACR1
SCHEMBL1086781 0.76 TACR2 (0.40) TACR2TACR1
SCHEMBL1086610 0.75 HSD11B1 (0.47) TACR2TACR1
SCHEMBL1085986 0.74 SMN1; SMN2 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL1086473 0.74 MAPK1 (0.48) ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8934413 0.72 ALDH1A1 (0.51) ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2
SCHEMBL1086706 0.71 TACR2 (0.39) ALDH1A1TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 220/4885KCNJ1 1902/4885LMNA 3413/4885

“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.