SCHEMBL6079988

SCHEMBL6079988

N[C@@H]1CCN(CCc2c(Cl)cnc3ccc(F)cc23)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
SLC2A1 P11166 3/20 0.37
KCNH2 Q12809 6/20 0.35
SSTR2 P30874 1/20 0.34
IDO1 P14902 4/20 0.34
TDO2 P48775 4/20 0.34
GRM5 P41594 1/20 0.34
CYP2C8 P10632 1/20 0.34
OPRL1 P41146 2/20 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
SCHEMBL6080374 0.90 SSTR2 (0.37) CYP19A1SLC2A1KCNH2SSTR2
SCHEMBL5746846 0.85 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5746857 0.85 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5747963 0.85 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5746855 0.85 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL5747952 0.85 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL6080089 0.85 SSTR2 (0.44) SLC2A1KCNH2SSTR2GRM5
SCHEMBL6080508 0.83 SLC2A1 (0.40) SLC2A1KCNH2IDO1TDO2CYP2C8
SCHEMBL6080502 0.83 SLC2A1 (0.40) SLC2A1KCNH2IDO1TDO2CYP2C8
Dioxane SCHEMBL5745626 0.81 SLC2A1 (0.46) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG CYP19A1 3878/4885SLC2A1 4409/4885KCNH2 3365/4885

“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.