SCHEMBL17469340

SCHEMBL17469340

CC(C)(C)OC(=O)N1CC[C@@H](C(=O)ON2C(=O)CCC2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ RECQL P46063 1/20 0.45
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ STS P08842 5/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ GPR119 Q8TDV5 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
SCHEMBL12071961 1.00 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL5494939 0.92 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL18275003 0.92 HPGD (0.43) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28525339 0.87 MAPT (0.39) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL17776135 0.86 NR1H2 (0.47) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14698321 0.83 HPGD (0.45) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL23779835 0.82 GPR119 (0.46) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL30885566 0.81 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL18751745 0.80 NR1H2 (0.41) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8476016 0.80 NR1H2 (0.41) MAPTALDH1A1KDM4ETHRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3916003-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex, Inc. (US) 2021-12-01 — — EP disclosed
EP-3171941-B1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2021-03-24 — — EP disclosed
US-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 — — US disclosed
US-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 — — US disclosed
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2017-07-27 — — US disclosed
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2017-07-27 — — US disclosed
WO-2016014982-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX, INC. (US) 2016-01-28 — — 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-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A HPGD 565/4885RECQL 1609/4885PTPN2 4354/4885

“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.

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