SCHEMBL5340412

SCHEMBL5340412

CCCCC1CCN(CCn2nnc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.60
HRH3 Q9Y5N1 1/20 0.48
P2RX7 Q99572 1/20 0.47
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
DRD2 P14416 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HRH1 P35367 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 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
SCHEMBL5338125 0.94 SLC9A1 (0.65) SLC9A1HRH3P2RX7CHRM1CHRM2
SCHEMBL5336178 0.94 SLC9A1 (0.63) SLC9A1HRH3P2RX7CHRM1CHRM2
SCHEMBL5334123 0.93 SLC9A1 (0.58) SLC9A1HRH3P2RX7CYP2D6DRD2
SCHEMBL5333085 0.88 SLC9A1 (0.63) SLC9A1HRH3P2RX7CYP2D6CHRM1
SCHEMBL5332564 0.88 SLC9A1 (0.60) SLC9A1HRH3P2RX7CYP2D6CHRM1
SCHEMBL5337563 0.87 SLC9A1 (0.57) SLC9A1P2RX7CYP2D6NPC1MAPT
SCHEMBL5345970 0.82 SLC9A1 (0.59) SLC9A1P2RX7CYP2D6ADRA1DADRA1B
SCHEMBL5334033 0.82 SLC9A1 (0.62) SLC9A1P2RX7CYP2D6ADRA1DADRA1B
SCHEMBL5345185 0.82 SLC9A1 (0.52) SLC9A1P2RX7CYP2D6NPC1RAB9A
SCHEMBL5331318 0.82 SLC9A1 (0.56) SLC9A1P2RX7CYP2D6NPC1MAPT

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 6 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
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 SLC9A1 3562/4885HRH3 42/4885P2RX7 731/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885HRH3 42/4885P2RX7 731/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC9A1 3562/4885HRH3 42/4885P2RX7 731/4885

“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.