SCHEMBL3220103

SCHEMBL3220103

CC(C)(C)N(C(=O)O)C1CCN(CC2(O)Cn3c(=O)ccc4ccc(F)c2c43)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
SLC2A1 P11166 1/20 0.33
KCNH2 Q12809 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 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
SCHEMBL3327809 0.86 KCNH2 (0.45) KCNH2
SCHEMBL3327813 0.86 KCNH2 (0.45) KCNH2
SCHEMBL3153679 0.80 KCNH2 (0.33) KCNH2
SCHEMBL3146460 0.80 L3MBTL1 (0.37) SLC2A1KCNH2
SCHEMBL3331892 0.79 KCNH2 (0.37) HSD11B1KCNH2
SCHEMBL3331050 0.77 KCNH2 (0.35) HSD11B1KCNH2
SCHEMBL3149416 0.76 SLC2A1 (0.51) SLC2A1KCNH2
SCHEMBL3326917 0.76 KCNH2 (0.56) KCNH2
SCHEMBL3325759 0.75 KCNH2 (0.34) KCNH2
SCHEMBL705916 0.74 OPRM1 (0.36) UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 HSD11B1 4493/4885SLC2A1 4498/4885KCNH2 2974/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB HSD11B1 1341/4885SLC2A1 4630/4885KCNH2 784/4885

“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.