SCHEMBL5848769

SCHEMBL5848769

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.49
TAOK3 Q9H2K8 2/20 0.49
POLB P06746 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BIRC2 Q13490 1/20 0.38
CTSK P43235 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
USP2 O75604 1/20 0.36
PSMB5 P28074 1/20 0.36
CTSB P07858 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
SCHEMBL5848743 0.96 TAOK1 (0.43) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5850513 0.96 TAOK1 (0.43) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848493 0.96 TAOK1 (0.43) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848731 0.96 TAOK1 (0.43) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL6867039 0.96 TAOK1 (0.43) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5849933 0.94 TAOK1 (0.41) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5850113 0.93 CTSK (0.44) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848335 0.93 POLB (0.42) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848745 0.93 TAOK1 (0.41) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848388 0.92 TAOK1 (0.40) TAOK1TAOK3POLBHDAC1HDAC6

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 3114/4885POLB 1900/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS TAOK1 2998/4885TAOK3 3171/4885POLB 1435/4885

“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.