SCHEMBL7250213

SCHEMBL7250213

c1ccc(OCCCN2CCc3c([nH]c4ccccc34)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.68
HTR1A P08908 1/20 0.67
GRIN2B Q13224 1/20 0.63
PARP1 P09874 1/20 0.59

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
SCHEMBL7247630 0.94 SIGMAR1 (0.62) SIGMAR1HTR1AGRIN2B
SCHEMBL7255896 0.86 ACHE (0.59) SIGMAR1HTR1AGRIN2B
SCHEMBL10675764 0.85 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL7246919 0.84 GRIN2B (0.82) SIGMAR1HTR1AGRIN2BPARP1
SCHEMBL7249585 0.82 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL28345419 0.82 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL22528263 0.82 SIGMAR1 (0.79) SIGMAR1HTR1AGRIN2B
SCHEMBL10566722 0.82 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL29941615 0.82 SIGMAR1 (0.74) SIGMAR1HTR1AGRIN2B
SCHEMBL12443454 0.81 HTR1A (0.72) SIGMAR1HTR1AGRIN2B

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 SIGMAR1 664/4885HTR1A 144/4885GRIN2B 8/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 SIGMAR1 664/4885HTR1A 144/4885GRIN2B 8/4885

“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.