SCHEMBL7246333

SCHEMBL7246333

COC(=O)CCCCN1CCCC(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.60
▸ PRMT6 Q96LA8 2/20 0.60
▸ HTR2A P28223 3/20 0.58
▸ CCR3 P51677 2/20 0.58
▸ CHRNB4 P30926 7/20 0.52
▸ CHRNA3 P32297 7/20 0.52
▸ CHRNB2 P17787 6/20 0.52
▸ CHRNA4 P43681 6/20 0.52
▸ BCHE P06276 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ MAOB P27338 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
SCHEMBL5888729 0.86 HTR7 (0.63) CCR3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7247797 0.85 CARM1 (0.56) CARM1PRMT6HTR2ACCR3CHRNB4
SCHEMBL7248608 0.80 CARM1 (0.64) CARM1PRMT6HTR2ACCR3CHRNB4
SCHEMBL12040805 0.79 KCNH2 (0.71) CARM1PRMT6CCR3BCHE
SCHEMBL7251644 0.79 CARM1 (0.62) CARM1PRMT6HTR2ACCR3CHRNB4
SCHEMBL1787933 0.79 CHRNB2 (0.50) CARM1PRMT6CHRNB4CHRNA3CHRNB2
SCHEMBL12041254 0.78 CARM1 (0.64) CARM1PRMT6HTR2ACCR3BCHE
Bromide SCHEMBL7250389 0.78 SIGMAR1 (0.68) CARM1PRMT6CCR3BCHE
SCHEMBL12041337 0.77 CARM1 (0.63) CARM1PRMT6CCR3BCHE
SCHEMBL12041275 0.77 KCNH2 (0.64) CARM1PRMT6CCR3BCHE

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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