SCHEMBL5848654

SCHEMBL5848654

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CTSB P07858 1/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
CCR1 P32246 2/20 0.46

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
SCHEMBL5850493 0.88 CTSS (0.50) CTSLCTSSCTSKHDAC1HDAC6
SCHEMBL5848702 0.86 GPR132 (0.50) CTSLCTSSCTSKALDH1A1MAPT
SCHEMBL5850540 0.85 TAOK1 (0.42) CTSLCTSSCTSKHDAC1HDAC6
SCHEMBL5848529 0.85 TAOK1 (0.42) CTSLCTSSCTSKHDAC1HDAC6
SCHEMBL5848563 0.83 ALDH1A1 (0.46) HDAC1HDAC6HDAC8ALDH1A1CHRM2
SCHEMBL5850357 0.83 CHRM2 (0.45) CTSLCTSKALDH1A1CHRM2CHRM4
SCHEMBL5850300 0.83 ALDH1A1 (0.48) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL5848336 0.83 CTSK (0.47) CTSKHDAC1HDAC6HDAC8ALDH1A1
SCHEMBL5848547 0.82 CHRM2 (0.46) CTSLCTSSCTSKALDH1A1CHRM2
SCHEMBL5849886 0.81 ALDH1A1 (0.45) ALDH1A1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSL 1570/4885CTSS 25/4885CTSK 344/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS CTSL 1068/4885CTSS 10/4885CTSK 161/4885

“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.