SCHEMBL7249172

SCHEMBL7249172

O=C1N=c2ccc(OCCCN3CCc4ccccc4C3)cc2=N1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.62
MAOA P21397 5/20 0.62
HTR5A P47898 1/20 0.61
DRD2 P14416 2/20 0.60
HTR1A P08908 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ABCB1 P08183 2/20 0.59
ABCC1 P33527 2/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL7246658 0.94 L3MBTL1 (0.59) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL7246965 0.78 HTR5A (0.79) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL7249175 0.78 MAOB (0.64) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL7250013 0.78 HTR5A (0.67) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL8790999 0.76 HTR5A (0.76) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL20364968 0.76 HTR5A (1.00) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL13720026 0.76 TDP1 (0.97) MAOBMAOAHTR5ADRD2HTR1A
Hydrochloric Acid SCHEMBL20359282 0.75 HTR1A (1.00) MAOBMAOAHTR5ADRD2HTR1A
SCHEMBL7405349 0.74 SLC6A2 (0.69) MAOBMAOA
SCHEMBL8789322 0.74 HTR5A (0.67) MAOBMAOAHTR5ADRD2HTR1A

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 MAOB 2568/4885MAOA 2168/4885HTR5A 270/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 MAOB 2568/4885MAOA 2168/4885HTR5A 270/4885

“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.