SCHEMBL1769838

SCHEMBL1769838

O=S(=O)(Oc1cc2c(cn1)N1CCN(Cc3ccccc3)CC1C2)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
MAPK1 P28482 2/20 0.36
SCN8A Q9UQD0 8/20 0.35
SCN1A P35498 7/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MGLL Q99685 2/20 0.33

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
SCHEMBL1770010 0.83 DRD2 (0.50) DRD2DRD4DRD3MAPK1
SCHEMBL3824484 0.76 DRD3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5131769 0.76 DRD3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3824489 0.76 DRD3 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1769731 0.75 DRD2 (0.46) DRD2DRD4
SCHEMBL3818073 0.74 DRD2 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11592645 0.71 DRD2 (0.53) DRD2
SCHEMBL11594479 0.71 DRD2 (0.66) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL3824487 0.67 RORC (0.40) DRD2DRD4DRD3
SCHEMBL22165423 0.67 MEN1 (0.39) DRD2DRD1DRD4DRD5DRD3

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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LES LABORATOIRES SERVIER (FR) 2011-05-12 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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BAX, CASP3, BCL2 DRD2 2186/4885DRD1 1752/4885DRD4 1368/4885

“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.