SCHEMBL5734145

SCHEMBL5734145

O=c1[nH]c2ccc([C@H]3CC[C@H](NCC4CC(c5ccc(F)cc5)=NO4)CC3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.43
KCNH2 Q12809 1/20 0.43
ENPP2 Q13822 1/20 0.42
PPM1D O15297 1/20 0.39
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
MIF P14174 1/20 0.35
GRIA1 P42261 1/20 0.34

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
SCHEMBL5734136 1.00 NR3C2 (0.43) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL5736576 0.83 NR3C2 (0.41) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL5736571 0.83 NR3C2 (0.41) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6988014 0.79 ENPP2 (0.54) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6996477 0.77 NR3C2 (0.47) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6190319 0.76 GRIN2D (0.42) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6190322 0.76 GRIN2D (0.42) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6191388 0.76 GRIN2D (0.42) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6191496 0.75 ASAH1 (0.45) NR3C2KCNH2ENPP2PPM1DGRIN2D
SCHEMBL6190557 0.75 SMYD3 (0.39) NR3C2KCNH2PPM1DGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP claimed
US-6828341-B2 Brain disorders; anticonvulsants; central nervous system disorders; psychological disorders WARNER-LAMBERT COMPANY 2004-12-07 US claimed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US claimed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP claimed
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP disclosed
US-6828341-B2 Brain disorders; anticonvulsants; central nervous system disorders; psychological disorders WARNER-LAMBERT COMPANY 2004-12-07 US disclosed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US disclosed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP 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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists GLRB, GRIN1, GRIN2B NR3C2 1348/4885KCNH2 74/4885ENPP2 3877/4885

“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.