SCHEMBL6993151

SCHEMBL6993151

CC(C)(C)[Si](C)(C)OC(CN)CN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.46
GRIN1 Q05586 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD4 P21917 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2C Q14957 1/20 0.42

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
SCHEMBL6986786 0.89 GRIN2D (0.51) GRIN2BGRIN1CYP3A4NFKB1MTOR
SCHEMBL7107010 0.82 GMNN (0.46) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL6997026 0.77 MEN1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BADRA1D
SCHEMBL6994959 0.74 GRIN2B (0.62) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL6998498 0.73 MEN1 (0.51) GRIN2BGRIN1CYP3A4NFKB1MTOR
Hydrochloric Acid SCHEMBL7037163 0.73 GRIN2B (0.60) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL25866860 0.73 MEN1 (0.31) MEN1KMT2A
SCHEMBL25865575 0.71 MEN1 (0.33) MEN1KMT2A
SCHEMBL6991291 0.71 MEN1 (0.49) GRIN2BGRIN1DRD4GRIN2DGRIN3B
SCHEMBL7220461 0.70 KDM4E (0.32)

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-6642256-B2 Brain disorders, psychological disorders, antiischemic agents, central nervous system disorders WARNER-LAMBERT COMPANY LLC 2003-11-04 US disclosed
EP-1345935-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS Warner-Lambert Company LLC (US) 2003-09-24 EP disclosed
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists KORNBERG BRIAN EDWARD (US) 2003-01-23 US disclosed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 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-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists GRIN1, OPRD1, OPRM1 GRIN2B 5/4885GRIN1 1/4885GMNN 3171/4885

“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.