SCHEMBL5848673

SCHEMBL5848673

CC(C)CC(NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)CN1CCN(C)c2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
HTR2C P28335 1/20 0.36
CCR1 P32246 2/20 0.36
CASP3 P42574 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DRD2 P14416 1/20 0.35
TACR1 P25103 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL5848739 0.94 HTR1A (0.39) MCOLN2MCOLN1TAOK1TAOK3HTR2C
SCHEMBL5848330 0.89 CAPN1 (0.43) CTSKMCOLN2MCOLN1TAOK1TAOK3
SCHEMBL5848743 0.88 TAOK1 (0.43) CTSKTAOK1TAOK3HTR2CCCR1
SCHEMBL5848493 0.88 TAOK1 (0.43) CTSKTAOK1TAOK3HTR2CCCR1
SCHEMBL6867039 0.88 TAOK1 (0.43) CTSKTAOK1TAOK3HTR2CCCR1
SCHEMBL5850513 0.88 TAOK1 (0.43) CTSKTAOK1TAOK3HTR2CCCR1
SCHEMBL5848731 0.88 TAOK1 (0.43) CTSKTAOK1TAOK3HTR2CCCR1
SCHEMBL5848379 0.85 TAOK1 (0.37) CTSKMCOLN2MCOLN1TAOK1TAOK3
SCHEMBL5848339 0.85 TACR1 (0.37) CTSKMCOLN2MCOLN1TAOK1TAOK3
SCHEMBL5848326 0.85 TAOK1 (0.39) CTSKMCOLN2MCOLN1TAOK1TAOK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US claimed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 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 CTSK 344/4885MCOLN2 1497/4885MCOLN1 771/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS CTSK 161/4885MCOLN2 1304/4885MCOLN1 1147/4885

“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.