SCHEMBL1743215

SCHEMBL1743215

C1=Nc2ccccc2C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
PDE7A Q13946 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL30574138 1.00 ADORA3 (0.39) ADORA3PDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL20991112 1.00 ADORA3 (0.39) ADORA3PDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL20469074 1.00 ADORA3 (0.39) ADORA3PDE7ASLC6A2SLC6A4SLC6A3
SCHEMBL21834171 0.94 ADORA3 (0.36) ADORA3
SCHEMBL29752687 0.94 ADORA3 (0.36) ADORA3
SCHEMBL9364337 0.90 ADORA3 (0.34) ADORA3
SCHEMBL30068180 0.90 ADORA3 (0.34) ADORA3
SCHEMBL25169501 0.84 ADORA3 (0.32) ADORA3
SCHEMBL30921586 0.84 ADORA3 (0.32) ADORA3
SCHEMBL1383352 0.81 OPRM1 (0.38) ADORA3SLC6A2SLC6A4

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
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN disclosed
EP-2385947-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-16 EP disclosed
EP-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 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 (1 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-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 ADORA3 48/4885PDE7A 148/4885SLC6A2 2190/4885

“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.