SCHEMBL5331273

SCHEMBL5331273

COC1CCN(CCCCn2nnc3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.57
SLC9A1 P19634 7/20 0.57
ADRA1D P25100 2/20 0.51
HTR2A P28223 2/20 0.51
ADRA1B P35368 2/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL5345007 0.97 SLC9A1 (0.55) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5336093 0.92 SLC9A1 (0.52) P2RX7SLC9A1NPC1RAB9AMAPT
SCHEMBL5335203 0.88 SLC9A1 (0.58) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5340841 0.86 SLC9A1 (0.59) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5338055 0.86 SLC9A1 (0.61) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5337342 0.85 SLC9A1 (0.56) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5337528 0.85 P2RX7 (0.55) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5336155 0.85 SLC9A1 (0.61) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5334033 0.84 SLC9A1 (0.62) P2RX7SLC9A1ADRA1DHTR2AADRA1B
SCHEMBL5335648 0.83 SLC9A1 (0.56) P2RX7SLC9A1ADRA1DHTR2AADRA1B

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