SCHEMBL5332055

SCHEMBL5332055

CC1CCN(CCCc2n[nH]c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
CYP2D6 P10635 1/20 0.47
CHRNA7 P36544 1/20 0.47
ACHE P22303 1/20 0.47
PARP1 P09874 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL5332597 0.88 PARP1 (0.47) CYP2D6ACHEPARP1DRD2HTR1A
SCHEMBL5332684 0.85 HRH3 (0.50) ACHEPARP1DRD2DRD4DRD3
SCHEMBL5331696 0.84 HRH3 (0.51) ACHEPARP1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6222193 0.83 HRH3 (0.50) ACHEPARP1DRD2DRD4DRD3
SCHEMBL5332521 0.77 ACHE (0.54) SIGMAR1ACHEDRD3HTR1AHTR7
SCHEMBL5336128 0.75 HTR1A (0.77) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL1326632 0.73 KDM4E (0.46) CYP2D6PARP1KDM4EMEN1TP53
SCHEMBL10395781 0.72 SIGMAR1 (0.58) SIGMAR1CYP2D6DRD2DRD4DRD3
SCHEMBL5337358 0.72 CHRNA7 (0.62) CHRNA7PARP1DRD2DRD4DRD3
SCHEMBL2876088 0.71 MEN1 (0.45) KDM4EMEN1NPC1HPGDRAB9A

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 7 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
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP 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 SIGMAR1 266/4885CYP2D6 1003/4885CHRNA7 13/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SIGMAR1 266/4885CYP2D6 1003/4885CHRNA7 13/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SIGMAR1 266/4885CYP2D6 1003/4885CHRNA7 13/4885

“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.