SCHEMBL5331409

SCHEMBL5331409

CCCCC1CCN(CCCc2nc3c(F)cc(F)cc3[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
PARP2 Q9UGN5 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CHRM1 P11229 4/20 0.40
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
GRIN2B Q13224 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR4 Q13639 2/20 0.37
ACHE P22303 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL5334895 0.83 HRH4 (0.45) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5334893 0.78 PARP1 (0.49) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5335148 0.77 HRH3 (0.45) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5334974 0.76 CHRNA7 (0.57) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5334997 0.76 GAA (0.43) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5335204 0.74 PARP1 (0.43) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5333833 0.74 HRH3 (0.42) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5332948 0.74 HRH3 (0.43) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5331503 0.73 HRH3 (0.41) PARP1PARP2HRH3CHRM1CHRM5
SCHEMBL5331372 0.71 KDM4E (0.49) PARP1PARP2HRH3CHRM1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed
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
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (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 PARP1 4673/4885PARP2 4831/4885HRH3 42/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 PARP1 4673/4885PARP2 4831/4885HRH3 42/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 PARP1 4673/4885PARP2 4831/4885HRH3 42/4885

“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.