SCHEMBL5849892

SCHEMBL5849892

CC(C)CCC(=O)C(NC(=O)CCC1CCCC1)N1CCCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
ACHE P22303 4/20 0.39
THRB P10828 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KLK7 P49862 1/20 0.37
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL5848159 0.82 MEN1 (0.46) MAPTALDH1A1NPC1HPGDNFKB1
SCHEMBL5848665 0.81 MAPT (0.47) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5849886 0.77 ALDH1A1 (0.45) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL5848762 0.76 BRS3 (0.44) ACHEALDH1A1
SCHEMBL5848555 0.76 GAA (0.43) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5848341 0.73 SGMS2 (0.42) POLBLMNAMAPTALDH1A1NPC1
SCHEMBL5850500 0.73 TAOK1 (0.46) POLBMAPTHSD17B10
SCHEMBL5850056 0.72 CTSK (0.50)
SCHEMBL5848748 0.71 ALDH1A1 (0.48) LMNAMAPTALDH1A1USP2NPC1
SCHEMBL5848319 0.71 HRH3 (0.43) POLBCHRM4CYP2D6NPC1RAB9A

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 POLB 1900/4885LMNA 4024/4885MAPT 1540/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS POLB 1435/4885LMNA 3685/4885MAPT 955/4885

“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.