SCHEMBL6997224

SCHEMBL6997224

O=c1[nH]c2ccc(-c3cnc(CN4CCC(Cc5ccc(F)cc5)CC4)o3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.50
GRIN1 Q05586 8/20 0.50
GRIN2D O15399 4/20 0.45
GRIN3B O60391 4/20 0.45
GRIN2A Q12879 4/20 0.45
GRIN2C Q14957 4/20 0.45
GRIN3A Q8TCU5 4/20 0.45
GRIA1 P42261 1/20 0.40

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
SCHEMBL6996569 0.83 GRIN2B (0.52) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6992524 0.76 GRIN1 (0.57) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8114274 0.76 GRIN2B (0.60) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7228618 0.74 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4674828 0.73 GRIN2B (0.63) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4674832 0.73 GRIN2B (0.63) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6996260 0.72 GRIN1 (0.57) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7529124 0.72 GRIN2B (0.70) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7037165 0.70 GRIN1 (0.54) GRIN1
SCHEMBL6998090 0.68 GRIN2B (0.57) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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
US-6642256-B2 Brain disorders, psychological disorders, antiischemic agents, central nervous system disorders WARNER-LAMBERT COMPANY LLC 2003-11-04 US claimed
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 GRIN2B 5/4885GRIN1 1/4885GRIN2D 9/4885

“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.