SCHEMBL5689666

SCHEMBL5689666

CN(CCCc1ccccc1)[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
SLC18A3 Q16572 1/20 0.51
GRIN2B Q13224 5/20 0.51
GRIN1 Q05586 2/20 0.49
SPHK1 Q9NYA1 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL5689661 1.00 KDM4E (0.52) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL7023319 1.00 KDM4E (0.52) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL6841392 0.95 KDM4E (0.56) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL6836225 0.95 KDM4E (0.56) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL6840856 0.91 KDM4E (0.54) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL6840853 0.91 KDM4E (0.54) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL5689337 0.87 SPHK1 (0.49) KDM4EGRIN2BSPHK1
SCHEMBL5689334 0.87 SPHK1 (0.49) KDM4EGRIN2BSPHK1
SCHEMBL5690277 0.87 KDM4E (0.52) KDM4ESLC18A3GRIN2BGRIN1SPHK1
SCHEMBL5690271 0.87 KDM4E (0.52) KDM4ESLC18A3GRIN2BGRIN1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982026-B1 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers HOFFMANN LA ROCHE (CH) 2006-05-17 EP claimed
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-12-25 US claimed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 US claimed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP claimed
EP-0982026-B1 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers HOFFMANN LA ROCHE (CH) 2006-05-17 EP disclosed
US-6919377-B2 Cyclohexylamine derivative as subtype selective NMDA receptor antagonists WARNER LAMBERT COMPANY LLC (US) 2005-07-19 US disclosed
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-12-25 US disclosed
CN-1441773-A Cyclohexylamine derivative as subtype selective NMDA receptor Antagonists WARNER LAMBERT CO (US) 2003-09-10 CN disclosed
EP-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP disclosed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 WO disclosed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 US disclosed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP 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-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists GRIN1, GRIN2A, GRIN2B KDM4E 3223/4885SLC18A3 269/4885GRIN2B 3/4885

“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.