SCHEMBL7248523

SCHEMBL7248523

Nc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.82
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
POLB P06746 3/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
CCR3 P51677 2/20 0.55

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
SCHEMBL3600315 0.91 FAAH (1.00) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL13234936 0.87 FAAH (0.82) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL3598122 0.87 FAAH (1.00) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
Hydrochloric Acid SCHEMBL4578019 0.86 GRIN2D (0.78) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL13234951 0.84 SMN1; SMN2 (1.00) FAAHKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1172481 0.84 FAAH (0.77) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL12685780 0.84 MEN1 (0.85) FAAHKMT2AMEN1GRIN2BPOLB
SCHEMBL5358819 0.84 FAAH (0.85) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL7249256 0.83 FAAH (0.75) FAAHKMT2AMEN1SMN1; SMN2GRIN2D
SCHEMBL13234956 0.83 MEN1 (0.77) FAAHKMT2AMEN1SMN1; SMN2GRIN2D

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 2036/4885KMT2A 1298/4885MEN1 639/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 FAAH 2036/4885KMT2A 1298/4885MEN1 639/4885

“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.