SCHEMBL20520311

SCHEMBL20520311

COCCOCCOCCCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CA2 P00918 1/20 0.38
TSHR P16473 5/20 0.36
EPHX2 P34913 2/20 0.36
CYP3A4 P08684 3/20 0.34
DDAH1 O94760 1/20 0.34
GAA P10253 1/20 0.33
ABCB11 O95342 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18236026 1.00 ALDH1A1 (0.40) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL19127324 1.00 ALDH1A1 (0.40) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL7367910 1.00 ALDH1A1 (0.40) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL22266503 0.98 ALDH1A1 (0.39) ALDH1A1CA2TSHREPHX2CYP3A4
Hydrochloric Acid SCHEMBL30296638 0.98 ALDH1A1 (0.39) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL21341921 0.93 ALDH1A1 (0.48) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL22266509 0.93 ALDH1A1 (0.48) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL21664615 0.91 ALDH1A1 (0.52) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL21341652 0.91 ALDH1A1 (0.52) ALDH1A1CA2TSHREPHX2CYP3A4
SCHEMBL22266385 0.91 ALDH1A1 (0.45) ALDH1A1CA2TSHREPHX2CYP3A4

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
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 US disclosed
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 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 (6 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-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 ALDH1A1 256/4885CA2 796/4885TSHR 3065/4885

“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.