SCHEMBL6160888

SCHEMBL6160888

O=c1[nH]c2ccc([S+]([O-])CCN3CCC(O)(Cc4ccc(F)cc4)CC3)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.45
▸ GRIN1 Q05586 4/20 0.45
▸ GRIN2D O15399 3/20 0.45
▸ GRIN3B O60391 3/20 0.45
▸ GRIN2A Q12879 3/20 0.45
▸ GRIN2C Q14957 3/20 0.45
▸ GRIN3A Q8TCU5 3/20 0.45
▸ CYP2D6 P10635 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 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
SCHEMBL7598758 0.97 GRIN2B (0.44) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162230 0.91 GRIN2B (0.48) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Besonprodil SCHEMBL29388542 0.82 GRIN1 (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
Besonprodil SCHEMBL2257896 0.82 GRIN1 (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL3446618 0.76 GRIN2D (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL15135313 0.76 ENPP2 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7190277 0.74 GRIN1 (0.47) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6160890 0.74 GRIN1 (0.51) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6162014 0.73 GRIN1 (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6161788 0.73 GRIN1 (0.54) 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 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 GRIN2B 1/4885GRIN1 4/4885GRIN2D 7/4885

“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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