SCHEMBL12424609

SCHEMBL12424609

CCC1CCN(Cc2cnco2)CC1F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
OPRM1 P35372 1/20 0.35
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 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
SCHEMBL12425960 1.00 DRD2 (0.36) DRD2OPRM1DRD4DRD3
SCHEMBL12385881 0.85 DRD2 (0.37) DRD2OPRM1DRD4DRD3
SCHEMBL15014565 0.85 DRD2 (0.37) DRD2OPRM1DRD4DRD3
SCHEMBL12384746 0.83 DRD2 (0.36) DRD2OPRM1DRD4DRD3
SCHEMBL12384706 0.83 DRD2 (0.36) DRD2OPRM1DRD4DRD3
SCHEMBL12424948 0.75 DRD2 (0.36) DRD2DRD3
SCHEMBL12424320 0.72 TLR9 (0.38)
SCHEMBL12561242 0.70 SMN1; SMN2 (0.34)
SCHEMBL16508784 0.70 SMN1; SMN2 (0.34)
SCHEMBL12424964 0.70 SMN1; SMN2 (0.34)

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 DRD2 3564/4885OPRM1 3594/4885DRD4 3211/4885

“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.