SCHEMBL6803078

SCHEMBL6803078

NC(=O)C12C(=O)COC1CCN2C(=O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.31
CHIT1 Q13231 1/20 0.31
CHIA Q9BZP6 1/20 0.31
TEAD1 P28347 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
HSD11B1 P28845 2/20 0.30
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7102347 0.91
SCHEMBL6803954 0.91 CHRM2 (0.30)
SCHEMBL4448472 0.91
SCHEMBL5092214 0.91
SCHEMBL6803730 0.90 NPC1 (0.33) NPC1RAB9ASMN1; SMN2DPP4FAP
SCHEMBL7100766 0.89 F2 (0.32) GAAHTTPOLBRAB9ASMN1; SMN2
SCHEMBL4446611 0.89 F2 (0.32) GAAHTTPOLBRAB9ASMN1; SMN2
SCHEMBL4449568 0.89 CCR2 (0.35)
SCHEMBL4448316 0.84 DPP4 (0.31) DPP4
SCHEMBL7101601 0.84 DPP4 (0.31) DPP4

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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 GAA 319/4885HTT 4622/4885POLB 2182/4885

“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.