SCHEMBL5849129

SCHEMBL5849129

COc1cccc2c1CCC=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
HTR1D P28221 2/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 3/20 0.39
CYP19A1 P11511 1/20 0.37
ACHE P22303 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL25246177 0.82 KDM4E (0.42) DRD2HTR1DDRD3ACHE
SCHEMBL30782829 0.77 EGFR (0.39) DRD2DRD3
SCHEMBL7379693 0.76 KDM4E (0.39) DRD2ABCB1
SCHEMBL5104747 0.75 DRD2 (0.40) DRD2HTR1DDRD3
SCHEMBL30475404 0.75 DRD2 (0.40) DRD2HTR1DDRD3
SCHEMBL28190456 0.74 KDM4E (0.34)
SCHEMBL30940171 0.73 MPO (0.51)
SCHEMBL19127634 0.73 MPO (0.51)
SCHEMBL30782904 0.72 PARP15 (0.40)
SCHEMBL5847372 0.72 MPO (0.44) DRD2HTR1DDRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US disclosed
US-5932743-A Methods for the solid phase synthesis of substituted indole compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999009007-A1 SOLID PHASE SYNTHESIS OF 2,3-DISUBSTITUTED INDOLE COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-25 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 DRD2 1588/4885HTR1D 1490/4885DRD3 1828/4885

“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.