SCHEMBL380250

SCHEMBL380250

COc1ccc2c(c1)CCN(CCCO)C2=O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.53
DRD2 P14416 4/20 0.53
DRD4 P21917 3/20 0.53
DRD1 P21728 1/20 0.53
AOC3 Q16853 4/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
GRM5 P41594 1/20 0.47

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
SCHEMBL7125843 0.92 AOC3 (0.53) DRD3DRD2DRD4DRD1AOC3
SCHEMBL3693926 0.87 DRD3 (0.56) DRD3DRD2DRD4DRD1AOC3
SCHEMBL380658 0.85 DRD3 (0.52) DRD3DRD2DRD4DRD1AOC3
SCHEMBL8550212 0.83 DRD3 (0.55) DRD3DRD2DRD4DRD1PRMT5
SCHEMBL22713735 0.82 AOC3 (0.69) DRD3DRD2DRD4DRD1AOC3
SCHEMBL7331145 0.82 DRD3 (0.53) DRD3DRD2DRD4DRD1PRMT5
SCHEMBL471627 0.82 PRMT5 (0.51) DRD3DRD2DRD4DRD1AOC3
SCHEMBL29438671 0.82 PRMT5 (0.51) DRD3DRD2DRD4DRD1AOC3
SCHEMBL3653090 0.82 HRH3 (0.64) DRD2DRD4
SCHEMBL13201488 0.81 PRMT5 (0.50) DRD3DRD2DRD4DRD1AOC3

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-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 DRD3 464/4885DRD2 294/4885DRD4 1419/4885

“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.