SCHEMBL5333493

SCHEMBL5333493

CCC1CCN(CCCc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
HRH1 P35367 1/20 0.58
DRD4 P21917 2/20 0.57
POLB P06746 1/20 0.55
GRIN2B Q13224 2/20 0.54
GRIN1 Q05586 1/20 0.54
PARP1 P09874 2/20 0.52
PARP2 Q9UGN5 1/20 0.52
GRIN2A Q12879 1/20 0.50
GRIN2C Q14957 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5338493 0.93 CHRNA7 (0.70) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL5335558 0.91 CHRNA7 (0.58) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL5334974 0.90 CHRNA7 (0.57) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL5337358 0.88 CHRNA7 (0.62) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL7102398 0.86 GRIN2B (0.74) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL8436102 0.85 GRIN1 (0.73) DRD2HTR1ADRD4GRIN2BGRIN1
SCHEMBL7097193 0.84 GRIN2B (0.62) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL4498788 0.83 CHRNA7 (0.64) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL9518726 0.83 DRD2 (0.67) CHRNA7DRD2DRD3HTR1AHTR7
SCHEMBL5338724 0.83 CHRNA7 (0.67) CHRNA7DRD2DRD3HTR1AHTR7

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 13/4885DRD2 476/4885DRD3 682/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CHRNA7 13/4885DRD2 476/4885DRD3 682/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRNA7 13/4885DRD2 476/4885DRD3 682/4885

“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.