SCHEMBL20520322

SCHEMBL20520322

CC(=O)c1c(C(=O)O)ccnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
KDM4E B2RXH2 7/20 0.46
ASPH Q12797 1/20 0.46
KDM8 Q8N371 1/20 0.46
KDM4C Q9H3R0 4/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4A O75164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KDM6B O15054 1/20 0.43
THRB P10828 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39

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
SCHEMBL28101555 0.89 NAPRT (0.41) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL19857454 0.86 NAPRT (0.57) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL20520335 0.85 NAPRT (0.47) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL28947701 0.81 NAPRT (0.47) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL28327051 0.79 KDM4E (0.56) KDM4EASPHKDM8KDM4CL3MBTL1
SCHEMBL27345450 0.77 NUDT1 (0.49) KDM4EKMT2AL3MBTL1ALDH1A1MAPT
Toluene SCHEMBL7547892 0.77 NAPRT (0.44) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL27648146 0.77 NAPRT (0.44) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL480040 0.77 NAPRT (0.55) NAPRTKDM4EASPHKDM8KDM4C
SCHEMBL18226305 0.76 NAPRT (0.59) NAPRTKDM4EASPHKDM8KDM4C

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 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 NAPRT 2989/4885KDM4E 1465/4885ASPH 3130/4885

“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.