SCHEMBL6703064

SCHEMBL6703064

O=C(NC(Cc1ccc(F)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
DRD4 P21917 3/20 0.43
HTR2A P28223 3/20 0.43
DRD2 P14416 2/20 0.43
CTSS P25774 7/20 0.40
CTSL P07711 7/20 0.40
CTSB P07858 6/20 0.40
CTSK P43235 5/20 0.40
SRC P12931 1/20 0.38
USP30 Q70CQ3 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
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
SCHEMBL6704289 0.94 HPGDS (0.47) HPGDSDRD4HTR2ADRD2CTSS
SCHEMBL6700236 0.93 HPGDS (0.46) HPGDSDRD4HTR2ADRD2CTSS
SCHEMBL6705009 0.90 CNR1 (0.37) HPGDSDRD4HTR2ADRD2CTSS
SCHEMBL6700741 0.90 DRD2 (0.45) HPGDSDRD4HTR2ADRD2CTSS
SCHEMBL6702085 0.89 HPGDS (0.45) HPGDSDRD4HTR2ADRD2CTSS
SCHEMBL6703752 0.87 CTSK (0.47) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6300222 0.86 CTSL (0.39) CTSSCTSLCTSBCTSKUSP30
SCHEMBL6696901 0.84 USP30 (0.42) CTSSCTSLCTSBCTSKUSP30
SCHEMBL6300636 0.84 CTSL (0.41) CTSSCTSLCTSBCTSKUSP30
SCHEMBL6703709 0.84 CDK2 (0.39) HPGDSCTSSCTSLCTSBCTSK

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 1 patent. 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

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 HPGDS 1729/4885DRD4 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.