SCHEMBL5338724

SCHEMBL5338724

CCCC1CCN(CCc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.67
DRD4 P21917 5/20 0.55
GRIN2B Q13224 2/20 0.54
GRIN1 Q05586 1/20 0.54
DDAH1 O94760 1/20 0.48
POLB P06746 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.47
HTT P42858 1/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
GRIN2A Q12879 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL5335558 0.93 CHRNA7 (0.58) CHRNA7DRD4GRIN2BGRIN1POLB
SCHEMBL4498788 0.93 CHRNA7 (0.64) CHRNA7DRD4GRIN2BGRIN1DDAH1
SCHEMBL5338493 0.90 CHRNA7 (0.70) CHRNA7DRD4GRIN2BGRIN1DDAH1
SCHEMBL14393788 0.88 GRIN1 (0.70) DRD4GRIN2BGRIN1HTTDRD2
SCHEMBL5334974 0.87 CHRNA7 (0.57) CHRNA7DRD4GRIN2BGRIN1POLB
SCHEMBL5345348 0.85 CHRNA7 (0.73) CHRNA7DRD4GRIN2BGRIN1POLB
SCHEMBL5333807 0.83 LMNA (0.51) CHRNA7DRD4GRIN2BGRIN1DRD2
SCHEMBL5333493 0.83 CHRNA7 (0.60) CHRNA7DRD4GRIN2BGRIN1POLB
SCHEMBL5334025 0.81 LMNA (0.50) CHRNA7DRD4GRIN2BGRIN1DDAH1
SCHEMBL30117400 0.80 DRD4 (0.67) CHRNA7DRD4DDAH1POLBEGLN3

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
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US 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 (3 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRNA7 13/4885DRD4 544/4885GRIN2B 257/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CHRNA7 13/4885DRD4 544/4885GRIN2B 257/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRNA7 13/4885DRD4 544/4885GRIN2B 257/4885

“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.