SCHEMBL3464939

SCHEMBL3464939

O=S(=O)(Oc1ccc2c(c1)CCC21CCCC2=CN=C[N+]21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
HTR1D P28221 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRM1 P11229 2/20 0.31
DRD4 P21917 1/20 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
SCHEMBL10158670 0.71 STS (0.42) DRD2DRD3HTR1DCA1CA2
SCHEMBL30935381 0.70 STS (0.39) DRD2DRD3HTR1DCA1CA2
SCHEMBL5026108 0.66 STS (0.64) DRD2DRD3HTR1DCA1CA2
SCHEMBL4427945 0.66 STS (0.59) DRD2DRD3HTR1DCA1CA2
SCHEMBL25186921 0.65 DRD2 (0.38) DRD2DRD3HTR1DCA1CA2
SCHEMBL3464936 0.65 CYP19A1 (0.35) DRD2DRD3HTR1DCA1CA2
SCHEMBL21468547 0.64 STS (0.62) DRD2DRD3HTR1DCA1CA2
SCHEMBL19460607 0.64 STS (0.40) DRD2DRD3HTR1DCA1CA2
SCHEMBL8438305 0.63 RXRA (0.40) DRD2DRD3HTR1DCA1CA2
SCHEMBL30831415 0.63 DGAT1 (0.45) DRD2DRD3HTR1D

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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 DRD2 3595/4885DRD3 2627/4885HTR1D 2521/4885

“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.