SCHEMBL5333845

SCHEMBL5333845

CC1CCN(CCCn2nnc3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.58
P2RX7 Q99572 1/20 0.57
ADRA1D P25100 2/20 0.51
HTR2A P28223 2/20 0.51
ADRA1B P35368 2/20 0.51
SIGMAR1 Q99720 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KDM1A O60341 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5338055 0.97 SLC9A1 (0.61) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5334871 0.92 SLC9A1 (0.56) SLC9A1P2RX7NPC1MAPTRAB9A
SCHEMBL5345970 0.87 SLC9A1 (0.59) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5345007 0.86 SLC9A1 (0.55) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5332564 0.85 SLC9A1 (0.60) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5334033 0.84 SLC9A1 (0.62) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5337342 0.84 SLC9A1 (0.56) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5336178 0.84 SLC9A1 (0.63) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5332540 0.84 SLC9A1 (0.52) SLC9A1P2RX7ADRA1DHTR2AADRA1B
SCHEMBL5331273 0.83 P2RX7 (0.57) SLC9A1P2RX7ADRA1DHTR2AADRA1B

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 8 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
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 SLC9A1 3562/4885P2RX7 731/4885ADRA1D 28/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885P2RX7 731/4885ADRA1D 28/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885P2RX7 731/4885ADRA1D 28/4885

“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.