SCHEMBL1129301

SCHEMBL1129301

O=S(=O)(Oc1ccc2c(c1)C1(CCC2)CCCn2cncc21)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.34
DRD3 P35462 9/20 0.34
CHRM1 P11229 5/20 0.34
DRD4 P21917 4/20 0.34
HTR1D P28221 1/20 0.33
CYP17A1 P05093 2/20 0.32
STS P08842 1/20 0.32
HSD11B1 P28845 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1129028 0.82 SIGMAR1 (0.43) DRD2DRD3DRD4CYP17A1SIGMAR1
SCHEMBL1129017 0.76 SIGMAR1 (0.39) DRD2DRD3DRD4CYP17A1SIGMAR1
SCHEMBL3616103 0.74 CYP19A1 (0.45) CYP17A1
SCHEMBL25186921 0.73 DRD2 (0.38) DRD2DRD3CHRM1DRD4HTR1D
SCHEMBL12060813 0.73 CYP19A1 (0.37) CYP17A1
SCHEMBL1129300 0.72 KDM1A (0.40) DRD2DRD3DRD4CYP17A1
SCHEMBL23714864 0.70 DRD2 (0.36) DRD2DRD3CHRM1DRD4HTR1D
SCHEMBL3464936 0.70 CYP19A1 (0.35) DRD2DRD3CHRM1DRD4HTR1D
SCHEMBL743744 0.69 SIGMAR1 (0.36) SIGMAR1
SCHEMBL1129324 0.68 KDM1A (0.46) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 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-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 DRD2 2953/4885DRD3 1977/4885CHRM1 1356/4885

“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.