SCHEMBL2071304

SCHEMBL2071304

CCC(CC)Cn1c(=O)n(C)c(=O)c2c(OS(=O)(=O)C(F)(F)F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.37
DRD3 P35462 7/20 0.37
DRD4 P21917 5/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
PDE2A O00408 4/20 0.35
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 0.35
HTR1D P28221 2/20 0.35
HTR5A P47898 1/20 0.34

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
SCHEMBL2070525 0.80 PDE1A (0.39) PDE2APDE1APDE1BPDE1C
SCHEMBL8025948 0.65 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL13604212 0.63 DRD2 (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL22140929 0.62 KDM4E (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3104662 0.62 DRD2 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL22140918 0.61 MEN1 (0.41) DRD2DRD3DRD4DRD1DRD5
SCHEMBL22140916 0.61 KDM4E (0.36) DRD2DRD3DRD4DRD1DRD5
SCHEMBL25323447 0.61 FABP1 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL23043440 0.61 TSHR (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL30707207 0.61 CCR4 (0.40) DRD2DRD3DRD4DRD1DRD5

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
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 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 (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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R DRD2 179/4885DRD3 206/4885DRD4 386/4885

“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.