SCHEMBL499394

SCHEMBL499394

Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 1.00
GRIN3B O60391 7/20 1.00
GRIN1 Q05586 7/20 1.00
GRIN2A Q12879 7/20 1.00
GRIN2B Q13224 7/20 1.00
GRIN2C Q14957 7/20 1.00
GRIN3A Q8TCU5 7/20 1.00
MAPT P10636 1/20 1.00
ADRA1A P35348 6/20 0.59
ADRA1D P25100 4/20 0.59
ADRA1B P35368 4/20 0.59
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ESR1 P03372 3/20 0.46
KCNA5 P22460 2/20 0.46
ESR2 Q92731 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
Hydrochloric Acid SCHEMBL1994218 0.99 GRIN2D (0.98) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL7298436 0.92 GRIN2B (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL7298465 0.92 GRIN2B (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7297969 0.90 GRIN2B (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7393665 0.89 GRIN2B (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7289245 0.89 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6207263 0.88 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6207318 0.88 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6207982 0.88 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6207053 0.87 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250161264-A1 (AMPAR-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GILGAMESH PHARMACEUTICALS, INC. 2025-05-22 US claimed
US-12048697-B2 Methods of treating dyskinesia and related disorders MELIOR PHARMACEUTICALS II, LLC (US) 2024-07-30 US claimed
WO-2023154450-A2 (AMPA-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-17 WO claimed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
JP-2011526251-A 2011-10-06 JP claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP claimed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed
EP-2220074-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY Neuraxon, INC. (CA) 2010-08-25 EP claimed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed
CN-1382442-A Method for preventing dyskinesia WARNER LAMBERT CO (US) 2002-12-04 CN claimed
EP-0824098-B1 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP claimed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GRIN2D 530/4885GRIN3B 218/4885GRIN1 136/4885
US-12048697-B2 Methods of treating dyskinesia and related disorders SLC6A3, CHAT, ACHE GRIN2D 259/4885GRIN3B 234/4885GRIN1 400/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 GRIN2D 530/4885GRIN3B 218/4885GRIN1 136/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A GRIN2D 7/4885GRIN3B 6/4885GRIN1 4/4885
US-20250161264-A1 (AMPAR-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GRIN2A, GRIN1, GRIN3A GRIN2D 12/4885GRIN3B 9/4885GRIN1 2/4885

“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.