SCHEMBL6996477

SCHEMBL6996477

O=c1[nH]c2ccc(C3=NOC(CCN4CCC(c5ccc(F)cc5)CC4)C3)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.47
KCNH2 Q12809 1/20 0.47
ENPP2 Q13822 1/20 0.46
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
MIF P14174 4/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
PPM1D O15297 1/20 0.39
SLC6A4 P31645 1/20 0.38
KDM1A O60341 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL6988014 0.91 ENPP2 (0.54) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6994292 0.88 GRIN1 (0.60) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6995528 0.79 ENPP2 (0.53) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6988850 0.79 GRIN1 (0.57) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6990591 0.79 ENPP2 (0.52) NR3C2KCNH2ENPP2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6987809 0.79 GRIN1 (0.56) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6994357 0.78 ENPP2 (0.52) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6992037 0.77 ENPP2 (0.51) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL6992449 0.77 ENPP2 (0.51) NR3C2KCNH2ENPP2GRIN2DGRIN3B
SCHEMBL5734145 0.77 NR3C2 (0.43) NR3C2KCNH2ENPP2GRIN2DGRIN3B

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-1345935-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS Warner-Lambert Company LLC (US) 2003-09-24 EP claimed
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists KORNBERG BRIAN EDWARD (US) 2003-01-23 US claimed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO claimed
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 NR3C2 2785/4885KCNH2 42/4885ENPP2 4389/4885

“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.