SCHEMBL13856313

SCHEMBL13856313

C[C@H]1CCC2Cc3cccnc3CC21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP2D6 P10635 2/20 0.33
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31

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
SCHEMBL8259536 0.77 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL14490659 0.77 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL14490658 0.77 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL24399967 0.73 DRD2 (0.41) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL13998639 0.73 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL3498480 0.73 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL13998641 0.73 DRD3 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL8267166 0.73 DRD2 (0.55) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL12891728 0.73 DRD2 (0.55) DRD2DRD3CYP2D6GRIN1GRIN2B
SCHEMBL12891737 0.73 DRD2 (0.44) DRD2DRD3CYP2D6GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 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-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH DRD2 2398/4885DRD3 1080/4885CYP2D6 319/4885

“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.