SCHEMBL5337351

SCHEMBL5337351

BrCCCn1nc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CXCR4 P61073 1/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
TP53 P04637 2/20 0.33
PDE6D O43924 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7476278 0.94 CXCR4 (0.39) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL17223973 0.92 CXCR4 (0.38) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL15871097 0.92 CXCR4 (0.38) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL20540638 0.86 MAPT (0.41) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL9222921 0.78 TLR8 (0.51) MAPTTLR8
SCHEMBL6699751 0.78 CSNK2A2 (0.48) MAPTL3MBTL1TDP1
SCHEMBL9039241 0.78 SLC9A1 (0.50) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL27349215 0.78 MAPT (0.39) MAPTL3MBTL1HPGDKDM4ECXCR4
SCHEMBL169024 0.77 TLR8 (0.53) MAPTTP53ALDH1A1HTTTLR8
Hydrochloric Acid SCHEMBL30091734 0.77 TLR8 (0.50) MAPTTLR8

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 18 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
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN 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
CN-101016296-A Muscarinic agonists ACADIA PHARM INC (US) 2007-08-15 CN disclosed
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
CN-1814596-A Muscarinic agonists ARCADIA PHARMACEUTICALS INC (US) 2006-08-09 CN disclosed
CN-1249051-C Muscarinic agonists ACADIA PHARM INC (US) 2006-04-05 CN 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
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN 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 MAPT 1699/4885L3MBTL1 940/4885HPGD 2043/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 MAPT 1699/4885L3MBTL1 940/4885HPGD 2043/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 MAPT 1699/4885L3MBTL1 940/4885HPGD 2043/4885

“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.