SCHEMBL5848745

SCHEMBL5848745

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.41
TAOK3 Q9H2K8 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SSTR3 P32745 5/20 0.39
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLD1 Q13393 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
SCHEMBL5848493 0.94 TAOK1 (0.43) TAOK1TAOK3HTR2CPOLBHDAC1
SCHEMBL5848731 0.94 TAOK1 (0.43) TAOK1TAOK3HTR2CPOLBHDAC1
SCHEMBL5848743 0.94 TAOK1 (0.43) TAOK1TAOK3HTR2CPOLBHDAC1
SCHEMBL5850513 0.94 TAOK1 (0.43) TAOK1TAOK3HTR2CPOLBHDAC1
SCHEMBL6867039 0.94 TAOK1 (0.43) TAOK1TAOK3HTR2CPOLBHDAC1
SCHEMBL5848769 0.93 TAOK1 (0.49) TAOK1TAOK3DRD3POLBHDAC1
SCHEMBL5849933 0.93 TAOK1 (0.41) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848388 0.92 TAOK1 (0.40) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5850113 0.92 CTSK (0.44) TAOK1TAOK3POLBHDAC1HDAC6
SCHEMBL5848335 0.92 POLB (0.42) TAOK1TAOK3HTR1AHTR2CDRD3

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 3114/4885HTR1A 4320/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS TAOK1 2998/4885TAOK3 3171/4885HTR1A 4712/4885

“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.