SCHEMBL5689779

SCHEMBL5689779

Oc1ccc(C2CCC(NCCCCc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.62
SPHK1 Q9NYA1 1/20 0.56
GRIN1 Q05586 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL5689782 1.00 GRIN2B (0.62) GRIN2BSPHK1GRIN1SIGMAR1
SCHEMBL5690253 1.00 GRIN2B (0.62) GRIN2BSPHK1GRIN1SIGMAR1
SCHEMBL6487045 0.99 GRIN2B (0.60) GRIN2BSPHK1GRIN1SIGMAR1
Hydrochloric Acid SCHEMBL7900985 0.99 GRIN2B (0.60) GRIN2BSPHK1GRIN1SIGMAR1
Hydrochloric Acid SCHEMBL7900983 0.99 GRIN2B (0.60) GRIN2BSPHK1GRIN1SIGMAR1
SCHEMBL5689946 0.96 GRIN2B (0.61) GRIN2BSPHK1GRIN1SIGMAR1
SCHEMBL5690203 0.96 GRIN2B (0.61) GRIN2BSPHK1GRIN1SIGMAR1
SCHEMBL5689944 0.96 GRIN2B (0.61) GRIN2BSPHK1GRIN1SIGMAR1
Hydrochloric Acid SCHEMBL5691921 0.95 GRIN2B (0.60) GRIN2BSPHK1GRIN1SIGMAR1
Hydrochloric Acid SCHEMBL5691923 0.95 GRIN2B (0.60) GRIN2BSPHK1GRIN1SIGMAR1

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 13 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
EP-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP claimed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 WO 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
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 958/4885GRIN1 1/4885

“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.