SCHEMBL7256134

SCHEMBL7256134

COc1cc2c(cc1OC)CN(CCCOc1ccccc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.78
TDP1 Q9NUW8 1/20 0.65
MAOB P27338 2/20 0.63
MAOA P21397 1/20 0.63
REV1 Q9UBZ9 1/20 0.61
ABCC1 P33527 1/20 0.60
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL8789885 0.88 ABCB1 (0.78) ABCB1TDP1MAOBMAOAABCC1
SCHEMBL8790998 0.83 ABCB1 (0.71) ABCB1MAOBMAOAABCC1
SCHEMBL8790618 0.83 ABCB1 (0.71) ABCB1TDP1MAOBMAOAABCC1
SCHEMBL7246965 0.82 HTR5A (0.79) TDP1MAOBMAOA
SCHEMBL8789908 0.81 ABCB1 (0.69) ABCB1MAOBMAOAABCC1
SCHEMBL8790607 0.81 ABCB1 (0.78) ABCB1MAOBMAOAREV1ABCC1
SCHEMBL4390875 0.81 ABCB1 (0.74) ABCB1MAOBMAOATMEM97SIGMAR1
SCHEMBL9806154 0.80 GRIN1 (0.55) ABCB1TDP1
SCHEMBL13720026 0.80 TDP1 (0.97) ABCB1TDP1MAOBMAOA
SCHEMBL13896162 0.80 ABCB1 (0.73) ABCB1REV1

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 ABCB1 984/4885TDP1 2512/4885MAOB 2568/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 ABCB1 984/4885TDP1 2512/4885MAOB 2568/4885

“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.