SCHEMBL17469372

SCHEMBL17469372

COC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.71
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
CYP3A4 P08684 1/20 0.61
FKBP1A P62942 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
KLK7 P49862 1/20 0.58
KLK5 Q9Y337 1/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CTRB1 P17538 1/20 0.57

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
SCHEMBL17469366 1.00 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL17469393 1.00 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL19258206 1.00 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL4724457 0.95 PREP (0.67) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL630112 0.95 PREP (0.67) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL5525089 0.95 PREP (0.67) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL630096 0.92 FKBP1A (0.71) PREPNPSR1ALDH1A1TSHRFKBP1A
SCHEMBL3578099 0.92 FKBP1A (0.71) PREPNPSR1ALDH1A1TSHRFKBP1A
SCHEMBL10518301 0.88 PREP (0.67) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL10518308 0.88 PREP (0.67) PREPNPSR1ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PREP 3505/4885NPSR1 82/4885ALDH1A1 3386/4885

“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.