SCHEMBL5848104

SCHEMBL5848104

CC(C)CC(NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)CN1CCCc2cc(O)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
CTSK P43235 2/20 0.37
CCR1 P32246 2/20 0.36
CASP3 P42574 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL5848731 0.92 TAOK1 (0.43) TAOK1TAOK3CTSKCCR1CASP3
SCHEMBL5848493 0.92 TAOK1 (0.43) TAOK1TAOK3CTSKCCR1CASP3
SCHEMBL5848743 0.92 TAOK1 (0.43) TAOK1TAOK3CTSKCCR1CASP3
SCHEMBL5850513 0.92 TAOK1 (0.43) TAOK1TAOK3CTSKCCR1CASP3
SCHEMBL6867039 0.92 TAOK1 (0.43) TAOK1TAOK3CTSKCCR1CASP3
SCHEMBL5848075 0.89 CARM1 (0.41) TAOK1TAOK3CTSKCASP3
SCHEMBL5849976 0.89 CARM1 (0.41) TAOK1TAOK3CTSKCASP3
SCHEMBL5848769 0.88 TAOK1 (0.49) TAOK1TAOK3CTSKALDH1A1
SCHEMBL5848335 0.88 POLB (0.42) TAOK1TAOK3CCR1ALDH1A1
SCHEMBL5849933 0.87 TAOK1 (0.41) TAOK1TAOK3CTSKALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US claimed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 TAOK1 2279/4885TAOK3 3114/4885SLC6A5 3548/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS TAOK1 2998/4885TAOK3 3171/4885SLC6A5 3167/4885

“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.