SCHEMBL14225752

SCHEMBL14225752

CC(C)(C)OC(=O)N1CCCC(c2ccc(N)c(Br)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.53
▸ FPR2 P25090 1/20 0.44
▸ USP30 Q70CQ3 2/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TRPV3 Q8NET8 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41

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
SCHEMBL25202320 0.94 PDE4B (0.59) PDE4BUSP30HPGDSHDAC1HDAC2
SCHEMBL25227116 0.93 PDE4B (0.51) PDE4BHDAC1HDAC2MAPTHDAC3
SCHEMBL14225756 0.91 PDE4B (0.53) PDE4BFPR2USP30HPGDSHDAC1
SCHEMBL9962347 0.91 PDE4B (0.54) PDE4BUSP30HPGDSHDAC1HDAC2
SCHEMBL24793974 0.88 PDE4B (0.53) PDE4BUSP30HPGDSHDAC1HDAC2
SCHEMBL2913125 0.88 PDE4B (0.52) PDE4BHDAC1HDAC2MAPT
SCHEMBL24196363 0.87 PDE4B (0.52) PDE4BUSP30HPGDSHDAC1HDAC2
SCHEMBL10206568 0.86 PDE4B (0.64) PDE4BUSP30
SCHEMBL30722047 0.85 PDE4B (0.52) PDE4BFPR2USP30HPGDSJAK2
SCHEMBL26985243 0.85 PDE4B (0.52) PDE4BFPR2USP30HPGDSJAK2

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-9029370-B2 Substituted benzamide derivatives HOFFMANN-LA ROCHE INC. (US) 2015-05-12 — — US disclosed
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-12-13 — — 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-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES NPY4R, PER2, NPY1R PDE4B 596/4885FPR2 3408/4885USP30 4247/4885

“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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