SCHEMBL5332597

SCHEMBL5332597

CCC1CCN(CCCc2n[nH]c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
HTR1A P08908 1/20 0.44
ACHE P22303 1/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GRIN2B Q13224 1/20 0.40
KCNH2 Q12809 1/20 0.40
BCHE P06276 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5332684 0.91 HRH3 (0.50) PARP1HTR1AACHEDRD2SLC6A4
SCHEMBL5331696 0.90 HRH3 (0.51) PARP1HTR1AACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL6222193 0.89 HRH3 (0.50) PARP1HTR1AACHEDRD2SLC6A4
SCHEMBL5332055 0.88 SIGMAR1 (0.49) PARP1HTR1AACHEDRD2HRH3
SCHEMBL5345352 0.78 ACHE (0.58) HTR1AACHEDRD2SLC6A4HRH3
SCHEMBL5336185 0.77 HTR1A (0.73) HTR1AACHEDRD2SLC6A4BCHE
SCHEMBL5332653 0.74 HRH3 (0.43) HTR1AACHEDRD2HRH3BCHE
SCHEMBL5335316 0.74 HRH3 (0.43) HTR1AACHEDRD2HRH3BCHE
SCHEMBL1326632 0.74 KDM4E (0.46) PARP1CYP2D6
SCHEMBL6989630 0.73 ACHE (0.64) ACHEHRH3BCHE

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 PARP1 4673/4885HTR1A 118/4885ACHE 22/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 PARP1 4673/4885HTR1A 118/4885ACHE 22/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 PARP1 4673/4885HTR1A 118/4885ACHE 22/4885

“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.