SCHEMBL6749596

SCHEMBL6749596

CC1OCC(=O)C1(C)NC(=O)C(CC(=O)N1CCC(c2ccccc2)C1)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 6/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
STAT1 P42224 1/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6753432 0.84 HDAC8 (0.45) ALDH1A1RAB9ALMNASMN1; SMN2NPC1
SCHEMBL6300352 0.83 ALDH1A1 (0.41) ALDH1A1POLBRAB9ALMNASMN1; SMN2
SCHEMBL6751311 0.80 MME (0.36)
SCHEMBL6989930 0.74
SCHEMBL6751806 0.73 CTSL (0.54)
SCHEMBL6749636 0.73 SLC7A5 (0.42)
SCHEMBL4457715 0.73 CTSS (0.45) ALDH1A1POLBRAB9ALMNASMN1; SMN2
SCHEMBL6294455 0.70 HDAC8 (0.42) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL6294772 0.69 HDAC8 (0.39) RAB9ANPC1
SCHEMBL6988397 0.66 CTSL (0.43)

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 ALDH1A1 3042/4885POLB 2438/4885RAB9A 3524/4885

“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.