SCHEMBL7246779

SCHEMBL7246779

Nc1ccc(OCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.57
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAOB P27338 10/20 0.55
MAOA P21397 6/20 0.55
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7249369 0.95 L3MBTL1 (0.55) HTR5AHTR1ADRD2HTR2AHTR7
SCHEMBL8789322 0.84 HTR5A (0.67) HTR5AHTR1ADRD2HTR2AHTR7
SCHEMBL7250013 0.84 HTR5A (0.67) HTR5AHTR1ADRD2HTR2AHTR7
SCHEMBL214059 0.82 HRH3 (0.54) HRH1DRD3TDP1MEN1KMT2A
SCHEMBL2890946 0.82 HRH3 (0.61) TDP1MEN1KMT2A
SCHEMBL16423999 0.81 HRH3 (0.60) TDP1MEN1KMT2A
SCHEMBL7253739 0.78 L3MBTL1 (0.64) HTR5AHTR1ADRD2HTR2AHTR7
SCHEMBL8790999 0.78 HTR5A (0.76) HTR5AHTR1ADRD2HTR2AHTR7
SCHEMBL7250933 0.77 HDAC3 (0.42) TDP1MEN1KMT2AGAAHPGD
SCHEMBL7405897 0.76 SLC6A2 (0.64) MAOBMAOAMEN1KMT2A

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 HTR5A 270/4885HTR1A 144/4885DRD2 313/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 HTR5A 270/4885HTR1A 144/4885DRD2 313/4885

“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.