SCHEMBL4597831

SCHEMBL4597831

O=CC1CCc2ncccc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
IDH1 O75874 4/20 0.36
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 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
SCHEMBL26121979 0.86 DRD2 (0.39) DRD2DRD3GRIN1GRIN2BIDH1
SCHEMBL16595227 0.86 DRD2 (0.41) DRD2DRD3GRIN1GRIN2BIDH1
SCHEMBL22148381 0.83 DRD2 (0.52) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL12891728 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL14819902 0.75 DRD2 (0.51) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL8267166 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL1266027 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B
SCHEMBL22791667 0.75 DRD2 (0.51) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL12891735 0.75 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHDAC1
SCHEMBL5051400 0.75 PLAU (0.55) DRD2DRD3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-208238347-U Novel constant temperature is freezing device 海门海康生物医药科技有限公司 2018-12-14 CN disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 DRD2 1758/4885DRD3 1424/4885GRIN1 1675/4885

“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.