SCHEMBL2184010

SCHEMBL2184010

O=CN1CCOC(c2cccc(Br)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
DRD3 P35462 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
ALOX5 P09917 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL947450 0.84 DRD2 (0.37) DRD3CYP1A2CYP2D6GSK3B
SCHEMBL946365 0.81 DRD3 (0.32) DRD3DGAT2
SCHEMBL947595 0.81 DRD3 (0.34) DRD3
SCHEMBL3120308 0.74 CTSL (0.43) CTSLCTSKDRD3
SCHEMBL295269 0.73 CNR2 (0.46) DRD3CYP1A2CYP2D6GSK3B
SCHEMBL3120324 0.73 NPC1 (0.36) CTSLCTSKDRD3
SCHEMBL5055418 0.71 AR (0.38) DRD3CYP1A2CYP2D6
SCHEMBL30912582 0.71 USP2 (0.40)
SCHEMBL30912594 0.71 USP2 (0.40)
SCHEMBL30912480 0.71 USP2 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 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 (2 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CTSL 3000/4885CTSK 1345/4885DRD3 624/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CTSL 3000/4885CTSK 1345/4885DRD3 624/4885

“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.