SCHEMBL7249256

SCHEMBL7249256

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.75
HTT P42858 3/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
GAA P10253 1/20 0.60
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
RAB9A P51151 1/20 0.55
MGLL Q99685 1/20 0.54
CCR3 P51677 1/20 0.54

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
SCHEMBL4577563 0.89 GRIN2D (0.73) FAAHHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3600315 0.86 FAAH (1.00) FAAHSMN1; SMN2MEN1KMT2AGRIN2D
SCHEMBL5170570 0.84 HTT (0.73) FAAHHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4577386 0.84 LMNA (0.66) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3598122 0.83 FAAH (1.00) FAAHSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13234936 0.83 FAAH (0.82) FAAHSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7248523 0.83 FAAH (0.82) FAAHSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5358819 0.82 FAAH (0.85) FAAHSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28363737 0.82 GAA (0.64) FAAHHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13234951 0.80 SMN1; SMN2 (1.00) FAAHSMN1; SMN2MEN1KMT2AMAPT

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 FAAH 2036/4885HTT 71/4885SMN1; SMN2 274/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 FAAH 2036/4885HTT 71/4885SMN1; SMN2 274/4885

“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.