SCHEMBL5848739

SCHEMBL5848739

CC(C)CC(NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1)C(=O)CN1CCN(C)c2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
DRD3 P35462 2/20 0.39
HTR2C P28335 1/20 0.39
PLD1 Q13393 1/20 0.38
HTR7 P34969 1/20 0.38
SSTR3 P32745 4/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.34
MCOLN1 Q9GZU1 1/20 0.34

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
SCHEMBL5848673 0.94 CTSK (0.38) HTR2CTAOK1TAOK3DRD2MCOLN2
SCHEMBL5848745 0.89 TAOK1 (0.41) HTR1ADRD3HTR2CPLD1HTR7
SCHEMBL5848330 0.84 CAPN1 (0.43) TAOK1TAOK3MCOLN2MCOLN1
SCHEMBL5848731 0.82 TAOK1 (0.43) HTR2CTAOK1TAOK3DRD2
SCHEMBL5848493 0.82 TAOK1 (0.43) HTR2CTAOK1TAOK3DRD2
SCHEMBL5848743 0.82 TAOK1 (0.43) HTR2CTAOK1TAOK3DRD2
SCHEMBL5850513 0.82 TAOK1 (0.43) HTR2CTAOK1TAOK3DRD2
SCHEMBL6867039 0.82 TAOK1 (0.43) HTR2CTAOK1TAOK3DRD2
SCHEMBL5848769 0.82 TAOK1 (0.49) DRD3TAOK1TAOK3DRD2
SCHEMBL5849933 0.82 TAOK1 (0.41) TAOK1TAOK3DRD2

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-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-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 HTR1A 4320/4885DRD3 3486/4885HTR2C 4662/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS HTR1A 4712/4885DRD3 4121/4885HTR2C 4785/4885

“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.