SCHEMBL1709103

SCHEMBL1709103

CN1CCCc2ccc(OS(=O)(=O)C(F)(F)F)c(-c3c(OS(=O)(=O)C(F)(F)F)ccc4c3N(C)CCC4)c21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
DRD3 P35462 7/20 0.40
DRD1 P21728 6/20 0.40
DRD4 P21917 6/20 0.40
DRD5 P21918 6/20 0.40
HTR1D P28221 1/20 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
SCHEMBL15486943 0.77 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7030007 0.75 DRD2 (0.41) DRD2DRD3HTR1D
SCHEMBL1709095 0.71 HSD17B10 (0.35) DRD2DRD1
SCHEMBL24308956 0.69 ALDH1A1 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9007737 0.68 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1282300 0.67 DRD1 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL23336944 0.67 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12533492 0.67 DRD2 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL19599368 0.67 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL15478973 0.67 DRD2 (0.33) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691992-B2 Octahydro biquinoline compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-04-08 US disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 DRD2 225/4885DRD3 443/4885DRD1 406/4885

“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.