SCHEMBL5052046

SCHEMBL5052046

CC([CH]C(N)=S)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 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
SCHEMBL2140279 1.00 ECE1 (0.31) ECE1
SCHEMBL2142444 0.81 ECE1 (0.32) ECE1
SCHEMBL5049589 0.81 ECE1 (0.32) ECE1
SCHEMBL2582192 0.75
SCHEMBL4100931 0.75
SCHEMBL3661088 0.74 ECE1 (0.33) ECE1
SCHEMBL4955323 0.74 CHRNB2 (0.37)
SCHEMBL15428875 0.74 CHRNB2 (0.35) ECE1
SCHEMBL15428858 0.74 CHRNB2 (0.35) ECE1
SCHEMBL3665726 0.74 ECE1 (0.30) ECE1

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-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) KLAUS PAULINI, ET AL. 2008-11-13 US disclosed
US-7375127-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) AE ZENTARIS GMBH (DE) 2008-05-20 US disclosed
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2006-01-19 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 (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-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) GPR88, GPR34, GPR35 ECE1 1807/4885
US-20080280965-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) GPR35, GPR88, GPBAR1 ECE1 2981/4885

“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.