SCHEMBL7249732

SCHEMBL7249732

O=C(O)CCCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.70
▸ CCR3 P51677 3/20 0.69
▸ SIGMAR1 Q99720 2/20 0.69
▸ KCNH2 Q12809 1/20 0.66
▸ SLC6A2 P23975 2/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ TMEM97 Q5BJF2 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60

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
SCHEMBL7012490 0.96 CCR3 (0.67) HTR7CCR3SIGMAR1KCNH2SLC6A2
SCHEMBL5888792 0.90 HTR7 (0.68) HTR7CCR3SIGMAR1KCNH2SLC6A2
SCHEMBL5969423 0.90 CCR3 (0.67) CCR3SIGMAR1
SCHEMBL5888729 0.85 HTR7 (0.63) HTR7CCR3SIGMAR1KCNH2TMEM97
SCHEMBL7251474 0.85 HTR7 (0.63) HTR7CCR3SIGMAR1KCNH2SLC6A2
SCHEMBL29244366 0.84 CCR3 (0.75) CCR3SIGMAR1KCNH2SLC6A2SLC6A4
SCHEMBL9050713 0.83 CCR3 (0.66) CCR3SIGMAR1
SCHEMBL18010408 0.82 HTR7 (1.00) HTR7
SCHEMBL4493316 0.82 CHRM1 (0.67) HTR7CCR3SIGMAR1KCNH2SLC6A2
SCHEMBL7248136 0.82 KCNH2 (0.74) HTR7CCR3SIGMAR1KCNH2SLC6A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995612-A1 Novel non-natural amino acids, their process of preparation and uses thereof Université de Strasbourg (FR) 2016-03-16 — — EP disclosed
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 HTR7 143/4885CCR3 3050/4885SIGMAR1 664/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 HTR7 143/4885CCR3 3050/4885SIGMAR1 664/4885

“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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