SCHEMBL1086775

SCHEMBL1086775

O=C(NCc1ccc(F)cc1)N1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ADRB2 P07550 1/20 0.45
APLNR P35414 1/20 0.45
GLP1R P43220 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
PKM P14618 1/20 0.44
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL4259608 0.86 TP53 (0.39) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL1086172 0.84 TACR2 (0.42) TACR2TACR1ALDH1A1TSHR
SCHEMBL1086332 0.83 POLB (0.46) PKMTACR2TACR1ALDH1A1MEN1
SCHEMBL1086781 0.83 TACR2 (0.40) TACR2TACR1
SCHEMBL1086782 0.81 TACR2 (0.42) TACR2TACR1
SCHEMBL1086610 0.79 HSD11B1 (0.47) TACR2TACR1TSHRMEN1KMT2A
SCHEMBL1086305 0.79 CYP2D6 (0.51) ALDH1A1TSHR
Beclamide SCHEMBL1086331 0.79 TACR2 (0.40) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL18445998 0.78 TACR2 (0.48) TACR2TACR1ALDH1A1
SCHEMBL1086548 0.78 ALDH1A1 (0.44) NPSR1ALDH1A1TSHRTP53MEN1

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 5 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
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

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 NPSR1 817/4885ADRB2 149/4885APLNR 2458/4885

“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.