SCHEMBL7248136

SCHEMBL7248136

OCCCCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.74
CCR3 P51677 4/20 0.73
SIGMAR1 Q99720 2/20 0.73
NAAA Q02083 1/20 0.64
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
PRMT3 O60678 1/20 0.63
CARM1 Q86X55 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
PRMT1 Q99873 1/20 0.63
PRMT8 Q9NR22 1/20 0.63
HRH3 Q9Y5N1 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
HTR7 P34969 1/20 0.60

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
SCHEMBL29244363 1.00 KCNH2 (0.74) KCNH2CCR3SIGMAR1NAAASLC6A2
SCHEMBL29244366 0.98 CCR3 (0.75) KCNH2CCR3SIGMAR1NAAASLC6A2
Bromide SCHEMBL7253360 0.97 CCR3 (0.73) KCNH2CCR3SIGMAR1NAAASLC6A2
SCHEMBL7247832 0.94 CCR3 (0.72) KCNH2CCR3SIGMAR1SLC6A2SLC6A4
Bromide SCHEMBL7249670 0.92 CCR3 (0.70) KCNH2CCR3SIGMAR1SLC6A2SLC6A4
SCHEMBL7248849 0.87 CCR3 (0.73) KCNH2CCR3SIGMAR1SLC6A2SLC6A4
SCHEMBL8091672 0.86 SIGMAR1 (0.97) KCNH2CCR3SIGMAR1NAAASLC6A2
SCHEMBL18764215 0.85 CARM1 (0.77) KCNH2CCR3SIGMAR1NAAASLC6A2
SCHEMBL12040797 0.85 KCNH2 (1.00) KCNH2CCR3SIGMAR1NAAASLC6A2
SCHEMBL29244381 0.85 KCNH2 (0.74) KCNH2CCR3SIGMAR1NAAASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (2 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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 KCNH2 615/4885CCR3 3050/4885SIGMAR1 664/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 KCNH2 615/4885CCR3 3050/4885SIGMAR1 664/4885

“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.