SCHEMBL5552809

SCHEMBL5552809

COc1cccc(-c2ccc(CCN)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 1.00
TAAR1 Q96RJ0 3/20 0.67
SLC13A5 Q86YT5 1/20 0.53
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
HCAR2 Q8TDS4 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL5556429 0.88 MAOB (0.78) MAOBTAAR1SLC13A5ABL1ABCB1
Hydrochloric Acid SCHEMBL3841387 0.87 MAOB (0.79) MAOBTAAR1BACE1
SCHEMBL9308074 0.85 MAOB (0.73) MAOBSLC13A5ABL1ABCB1BCR
SCHEMBL4842037 0.82 MAOB (1.00) MAOBTAAR1
SCHEMBL1180343 0.82 ABL1 (0.69) MAOBABL1ABCB1BCR
SCHEMBL13952331 0.81 MAOB (0.68) MAOBSLC13A5ABL1ABCB1BCR
SCHEMBL1336638 0.80 MAOB (0.67) MAOBTAAR1ABL1ABCB1BCR
SCHEMBL42400 0.80 TAAR1 (1.00) MAOBTAAR1
SCHEMBL10468492 0.79 MAOB (0.66) MAOBSLC13A5ABL1ABCB1BCR
SCHEMBL20777101 0.79 MAOB (0.66) MAOBSLC13A5ABL1ABCB1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO 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 (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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF MAOB 3127/4885TAAR1 4731/4885SLC13A5 4426/4885

“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.