SCHEMBL6700741

SCHEMBL6700741

O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
HTR2A P28223 3/20 0.45
HPGDS O60760 1/20 0.42
CTSL P07711 7/20 0.38
CTSS P25774 4/20 0.37
SRC P12931 1/20 0.36
CTSB P07858 4/20 0.36
CTSK P43235 2/20 0.36
KLKB1 P03952 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 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
SCHEMBL6700236 0.92 HPGDS (0.46) DRD2DRD4HTR2AHPGDSCTSL
SCHEMBL6702842 0.91 CTSL (0.39) DRD2DRD4HTR2AHPGDSCTSL
SCHEMBL6702085 0.90 HPGDS (0.45) DRD2DRD4HTR2AHPGDSCTSL
SCHEMBL6704289 0.90 HPGDS (0.47) DRD2DRD4HTR2AHPGDSCTSL
SCHEMBL6703064 0.90 HPGDS (0.47) DRD2DRD4HTR2AHPGDSCTSL
SCHEMBL6294295 0.86 CTSL (0.40) CTSLCYP2D6CYP2C9
SCHEMBL6702836 0.86 CTSL (0.41) CTSLCTSSCTSBCTSKKLKB1
SCHEMBL6699255 0.85 CTSL (0.40) CTSLCTSSCTSBCTSKKLKB1
SCHEMBL6695685 0.84 CTSB (0.45) CTSLCTSSCTSBCTSKKLKB1
SCHEMBL6703752 0.84 CTSK (0.47) HPGDSCTSLCTSSCTSBCTSK

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 DRD2 4621/4885DRD4 4692/4885HTR2A 4588/4885

“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.