SCHEMBL20465384

SCHEMBL20465384

CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)c(Br)cc2[nH]1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.42
▸ TRPA1 O75762 1/20 0.36
▸ GABRB1 P18505 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ SCN10A Q9Y5Y9 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
SCHEMBL20468303 0.83 AAK1 (0.47) AAK1TRPA1GABRB1GABRB2LCK
SCHEMBL16532762 0.82 AAK1 (0.50) AAK1EGLN1LCK
SCHEMBL20465386 0.79 AAK1 (0.46) AAK1TRPA1GABRB1GABRB2PRCP
SCHEMBL20054545 0.79 AAK1 (0.64) AAK1LCKSCN10A
SCHEMBL15116826 0.79 AAK1 (0.64) AAK1LCKSCN10A
SCHEMBL13498185 0.78 AAK1 (0.48) AAK1TRPA1PRCP
SCHEMBL2505194 0.78 AAK1 (0.48) AAK1TRPA1PRCP
SCHEMBL2505196 0.78 AAK1 (0.48) AAK1TRPA1PRCP
SCHEMBL15116746 0.78 AAK1 (0.50) AAK1LCKBCHEPTPN1SCN10A
SCHEMBL20054435 0.78 AAK1 (0.50) AAK1LCKBCHEPTPN1SCN10A

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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 — — 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-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885TRPA1 4722/4885GABRB1 3608/4885

“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.

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