SCHEMBL17469315

SCHEMBL17469315

C[C@@H](O)[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCCN1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HRH3 Q9Y5N1 2/20 0.41
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36
PARP1 P09874 1/20 0.35
MME P08473 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL23128322 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HRH3CDYL2
SCHEMBL19161167 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14908347 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14685069 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL16168414 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL30979837 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL20993861 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14685058 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14673340 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14673341 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A2 126/4885SLC6A4 104/4885SLC6A3 131/4885

“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.