SCHEMBL7247797

SCHEMBL7247797

CCOC(=O)CCCN1CCCC(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.56
▸ PRMT6 Q96LA8 1/20 0.56
▸ HTR2A P28223 3/20 0.52
▸ CCR3 P51677 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CHRNB4 P30926 7/20 0.51
▸ CHRNA3 P32297 7/20 0.51
▸ CHRNB2 P17787 5/20 0.51
▸ CHRNA4 P43681 5/20 0.51
▸ HTR7 P34969 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47

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
SCHEMBL7247107 0.86 KCNH2 (0.61) CCR3KDM4EHTR7L3MBTL1
SCHEMBL7246333 0.85 CARM1 (0.60) CARM1PRMT6HTR2ACCR3KDM4E
Bromide SCHEMBL7247104 0.85 KCNH2 (0.60) CCR3KDM4EHTR7L3MBTL1
SCHEMBL13036975 0.82 BCHE (0.44) HTR2AKDM4EALDH1A1HTR7HTR1A
SCHEMBL7248992 0.79 L3MBTL1 (0.48) KDM4EALDH1A1L3MBTL1
SCHEMBL6005396 0.79 L3MBTL1 (0.62) PRMT6CCR3KDM4EL3MBTL1
SCHEMBL12040805 0.78 KCNH2 (0.71) CARM1PRMT6CCR3BCHE
SCHEMBL13036977 0.78 SMN1; SMN2 (0.45) HTR2AKDM4EALDH1A1HTR7HTR1A
SCHEMBL21206426 0.78 BCHE (0.54) CARM1PRMT6L3MBTL1BCHEACHE
SCHEMBL28485695 0.78 BCHE (0.54) CARM1PRMT6L3MBTL1BCHEACHE

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 CARM1 1889/4885PRMT6 3340/4885HTR2A 157/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CARM1 1889/4885PRMT6 3340/4885HTR2A 157/4885

“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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