SCHEMBL7248992

SCHEMBL7248992

CCOC(=O)CCC(C)N1CCCC(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7247797 0.79 CARM1 (0.56) L3MBTL1ALDH1A1KDM4E
SCHEMBL7248998 0.78 ALDH1A1 (0.43) L3MBTL1ALDH1A1NPC1CYP3A4CYP2D6
SCHEMBL7822101 0.77 L3MBTL1 (0.60) L3MBTL1ALDH1A1NPC1CYP3A4CYP2D6
SCHEMBL7248629 0.76 L3MBTL1 (0.62) L3MBTL1OPRM1KCNH2HRH3
SCHEMBL2603281 0.76 CARM1 (0.55) CYP3A4CYP2D6KCNH2HRH3TSHR
SCHEMBL1863189 0.74 L3MBTL1 (0.42) L3MBTL1ALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL6005396 0.73 L3MBTL1 (0.62) L3MBTL1OPRM1KDM4EKCNH2
SCHEMBL1857503 0.73 L3MBTL1 (0.41) L3MBTL1ALDH1A1HSD17B10TSHRRAB9A
SCHEMBL2606080 0.72 OPRM1 (0.51) OPRM1CYP3A4CYP2D6KCNH2TSHR
SCHEMBL4577442 0.72 L3MBTL1 (0.63) L3MBTL1ALDH1A1OPRM1KCNH2HRH3

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 L3MBTL1 1288/4885ALDH1A1 2672/4885OPRM1 4/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 L3MBTL1 1288/4885ALDH1A1 2672/4885OPRM1 4/4885

“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.

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