SCHEMBL6162845

SCHEMBL6162845

O=C(c1ccccc1)C1CCN(CC[S+]([O-])c2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.45
▸ GRIN1 Q05586 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ GRIN2D O15399 2/20 0.43
▸ GRIN3B O60391 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ GRIN3A Q8TCU5 2/20 0.43
▸ ENPP2 Q13822 3/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL6163800 0.83 GRIN1 (0.62) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL15135313 0.81 ENPP2 (0.46) GRIN1KCNH2GRIN2DGRIN3BGRIN2A
SCHEMBL8947955 0.79 HTR2A (0.55) HTR2AGRIN1KCNH2GRIN2DGRIN3B
SCHEMBL6164799 0.78 GRIN2B (0.48) HTR2AGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162230 0.78 GRIN2B (0.48) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6161400 0.77 GRIN1 (0.49) HTR2AGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162014 0.77 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Besonprodil SCHEMBL2257896 0.76 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6161788 0.76 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6161379 0.75 GRIN1 (0.51) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 — — EP claimed
US-20030004187-A1 Method for preventing dyskinesias WARNER-LAMBERT COMPANY LLC 2003-01-02 — — US claimed
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 — — EP claimed
EP-1254661-A1 Method for preventing dyskinesias with selective NMDA-Antagonists WARNER-LAMBERT COMPANY (US) 2002-11-06 — — EP claimed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 — — US claimed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 — — EP claimed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 — — WO claimed
EP-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 — — EP disclosed
US-20030004187-A1 Method for preventing dyskinesias WARNER-LAMBERT COMPANY LLC 2003-01-02 — — US disclosed
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 — — EP disclosed
EP-1254661-A1 Method for preventing dyskinesias with selective NMDA-Antagonists WARNER-LAMBERT COMPANY (US) 2002-11-06 — — EP disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 — — US disclosed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 — — EP disclosed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 — — 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-20030004187-A1 Method for preventing dyskinesias GRIN2B, GRIN2A, GRIN3A HTR2A 126/4885GRIN1 4/4885KCNH2 893/4885

“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.

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