SCHEMBL6300310

SCHEMBL6300310

N[C@]1(C(=O)O)CCC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.46
ARG2 P78540 2/20 0.46
GRM2 Q14416 11/20 0.42
GRM6 O15303 6/20 0.42
GRM3 Q14832 6/20 0.42
GRM8 O00222 2/20 0.42
GRM1 Q13255 5/20 0.41
GRM5 P41594 6/20 0.38
GRM4 Q14833 4/20 0.38
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
MTOR P42345 1/20 0.36
PLCB1 Q9NQ66 1/20 0.36

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
SCHEMBL6294440 1.00 ARG1 (0.46) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8443472 1.00 ARG1 (0.46) ARG1ARG2GRM2GRM6GRM3
SCHEMBL22415975 0.93 GRM2 (0.41) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8440792 0.93 GRM2 (0.41) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8438917 0.93 GRM2 (0.41) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8443338 0.93 GRM2 (0.41) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8441724 0.93 GRM2 (0.41) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8438555 0.91 GRM2 (0.40) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8442848 0.91 GRM2 (0.40) ARG1ARG2GRM2GRM6GRM3
SCHEMBL8441716 0.91 GRM2 (0.40) ARG1ARG2GRM2GRM6GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed
US-6958358-B2 administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide AMURA THERAPEUTICS LIMITED (GB) 2005-10-25 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
US-5959141-A 1-amino-2-hydroxycycloalkanecarboxylic acid derivatives SUNTORY LIMITED (JP) 1999-09-28 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 ARG1 558/4885ARG2 1320/4885GRM2 4184/4885

“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.