SCHEMBL6866717

SCHEMBL6866717

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N)C(=O)CN1CCCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB5 P28074 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37

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
Hydrochloric Acid SCHEMBL5848656 0.99 ALDH1A1 (0.39) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5848757 0.87 ALDH1A1 (0.48) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5848796 0.86 ALDH1A1 (0.40) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5850486 0.85 ALDH1A1 (0.37) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5848743 0.84 TAOK1 (0.43) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL6867039 0.84 TAOK1 (0.43) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5848731 0.84 TAOK1 (0.43) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5850513 0.84 TAOK1 (0.43) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5848493 0.84 TAOK1 (0.43) ALDH1A1USP2MEN1KMT2APOLB
SCHEMBL5849121 0.83 MCOLN2 (0.47) ALDH1A1MEN1KMT2APOLBMAPT

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 1884/4885USP2 1427/4885MEN1 2086/4885

“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.