SCHEMBL18790622

SCHEMBL18790622

CC(C)(C)OC(=O)N1CC[C@H](ON)[C@@H](N2CCCC(I)C2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ CTSD P07339 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ USP30 Q70CQ3 4/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ GPR119 Q8TDV5 1/20 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
SCHEMBL9962424 0.86 MAPT (0.43) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL30242034 0.86 MAPT (0.43) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL16786560 0.83 MAPT (0.41) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL18790624 0.83 HPGD (0.42) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL16691765 0.82 SCN9A (0.35) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL16789933 0.80 ALDH1A1 (0.39) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL22240440 0.79 MAPT (0.37) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL30242026 0.70 HPGD (0.45) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL9962386 0.70 HPGD (0.45) MAPTMEN1ALDH1A1KMT2AEPHX1
SCHEMBL28169096 0.70 HPGD (0.45) MAPTMEN1ALDH1A1KMT2AEPHX1

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-20170114039-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN IDEC MA INC. 2017-04-27 — — 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-20170114039-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN MAPT 4175/4885MEN1 3327/4885ALDH1A1 4528/4885

“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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