SCHEMBL1180955

SCHEMBL1180955

CC1(C)CCn2cncc2C1c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
DRD4 P21917 8/20 0.40
DRD3 P35462 8/20 0.40
DRD1 P21728 4/20 0.40
DRD5 P21918 4/20 0.40
CYP17A1 P05093 1/20 0.32
CHRM1 P11229 5/20 0.32
CXCR2 P25025 2/20 0.31
CXCR1 P25024 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
SCHEMBL7143580 0.67 DRD2 (0.52) DRD2DRD4DRD3DRD1DRD5
SCHEMBL21590356 0.64 DRD3 (0.62) DRD2DRD4DRD3DRD1DRD5
SCHEMBL576035 0.63 CA2 (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22444698 0.63 DRD2 (0.57) DRD2DRD4DRD3DRD1DRD5
SCHEMBL12356798 0.62 DRD2 (0.40) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19462629 0.61 CHRM1 (0.41) DRD2DRD4DRD3DRD1DRD5
SCHEMBL3128608 0.61 DRD2 (0.61) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10181619 0.61 DRD2 (0.51) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19482466 0.61 SLC6A4 (0.40) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1424672 0.60 DRD2 (0.46) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8008334-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2011-08-30 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US disclosed
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds NOVARTIS AG (CH) 2009-08-06 US disclosed
EP-1957489-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
WO-2007065942-A2 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-06-14 WO 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 (2 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-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN DRD2 1945/4885DRD4 1633/4885DRD3 1075/4885
US-20090197909-A1 Bis-Heterocyclic Imidazolyl Compounds REN, CYP11B1, CYP11B2 DRD2 2652/4885DRD4 2513/4885DRD3 1423/4885

“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.