SCHEMBL14005405

SCHEMBL14005405

CC(COc1cncc(C(C)(C)C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
TRPA1 O75762 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 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
SCHEMBL14005204 0.86 AAK1 (0.40) TRPA1AAK1
SCHEMBL14005058 0.86 AAK1 (0.40) TRPA1AAK1
SCHEMBL14004850 0.86 AAK1 (0.40) TRPA1AAK1
SCHEMBL6853676 0.85 AAK1 (0.43) MTNR1AMTNR1BTRPA1AAK1
SCHEMBL6853669 0.85 AAK1 (0.43) MTNR1AMTNR1BTRPA1AAK1
SCHEMBL6855278 0.83 TRPA1 (0.36) MTNR1AMTNR1BTRPA1AAK1CA2
SCHEMBL6855273 0.83 TRPA1 (0.36) MTNR1AMTNR1BTRPA1AAK1CA2
SCHEMBL14005206 0.81 AAK1 (0.37) AAK1CA2CA1CA7CA4
SCHEMBL14004830 0.80 ATM (0.53)
SCHEMBL14004864 0.78 CA12 (0.54) SCN9ACA2CA1CA9

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 SCN9A 2076/4885MTNR1A 2661/4885MTNR1B 2518/4885

“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.