SCHEMBL5690258

SCHEMBL5690258

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.53
SPHK1 Q9NYA1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL5690254 1.00 GRIN2B (0.53) GRIN2BSPHK1KDM4EOPRM1CHRM2
SCHEMBL7072272 0.95 GRIN2B (0.50) GRIN2BSPHK1KDM4EOPRM1OPRD1
SCHEMBL7072271 0.95 GRIN2B (0.50) GRIN2BSPHK1KDM4EOPRM1OPRD1
SCHEMBL5689734 0.89 OPRM1 (0.44) GRIN2BSPHK1OPRM1OPRD1OPRK1
SCHEMBL6482674 0.89 KMT2A (0.47) SPHK1OPRM1OPRD1OPRK1
SCHEMBL5690183 0.86 BCHE (0.50) GRIN2BSPHK1
SCHEMBL5690181 0.86 BCHE (0.50) GRIN2BSPHK1
SCHEMBL7023319 0.85 KDM4E (0.52) GRIN2BSPHK1KDM4ESLC6A2SLC6A4
SCHEMBL5689661 0.85 KDM4E (0.52) GRIN2BSPHK1KDM4ESLC6A2SLC6A4
SCHEMBL5689666 0.85 KDM4E (0.52) GRIN2BSPHK1KDM4ESLC6A2SLC6A4

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 11 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-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 GRIN2B 3/4885SPHK1 958/4885KDM4E 3223/4885

“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.