SCHEMBL3215307

SCHEMBL3215307

CC(C)(C)N(C(=O)O)C1CCN(CC2Cn3c(=O)ccc4ccc(C#N)c2c43)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
KCNH2 Q12809 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HSD11B1 P28845 1/20 0.32
PGR P06401 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
CCR5 P51681 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
SCHEMBL3213956 0.86 SLC2A1 (0.41) SLC2A1KCNH2
SCHEMBL3149416 0.86 SLC2A1 (0.51) SLC2A1KCNH2CCR5
SCHEMBL3209025 0.81 SLC2A1 (0.40) SLC2A1KCNH2HSD11B1CCR5
SCHEMBL3145888 0.81 SLC2A1 (0.42) SLC2A1KCNH2KDM2B
SCHEMBL3144572 0.80 KDM1A (0.36) SLC2A1KCNH2
SCHEMBL3548266 0.78 KCNH2 (0.43) SLC2A1KCNH2CYP2D6
SCHEMBL3201907 0.77 KCNH2 (0.44) SLC2A1KCNH2
SCHEMBL3556638 0.76 KCNH2 (0.38) SLC2A1KCNH2
SCHEMBL3150681 0.75 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL19470007 0.74 TOP2A (0.34) CCR5

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 SLC2A1 4498/4885KCNH2 2974/4885NOS3 788/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB SLC2A1 4630/4885KCNH2 784/4885NOS3 48/4885

“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.