SCHEMBL20533654

SCHEMBL20533654

CC(C)[C@H]1CC[C@H](C)CC1(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.39
GRM6 O15303 3/20 0.39
GRM3 Q14832 3/20 0.39
ARG1 P05089 5/20 0.37
ARG2 P78540 1/20 0.37
GRM1 Q13255 2/20 0.35
GRM5 P41594 1/20 0.35
EPHX1 P07099 1/20 0.35
GRM8 O00222 1/20 0.34
SLC6A4 P31645 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL20533656 1.00 GRM2 (0.39) GRM2GRM6GRM3ARG1ARG2
SCHEMBL11665887 0.81 HSD11B1 (0.34) EPHX1HSD11B1
SCHEMBL9666966 0.81 GRM2 (0.42) GRM2GRM6GRM3ARG1ARG2
SCHEMBL1532382 0.81 GRM2 (0.42) GRM2GRM6GRM3ARG1ARG2
SCHEMBL112520 0.79 EPHX1 (0.37) EPHX1HSD11B1
SCHEMBL27767356 0.79 NPC1 (0.40)
SCHEMBL29682105 0.76 HSD11B1 (0.33) EPHX1HSD11B1
SCHEMBL7978200 0.76 HSD11B1 (0.33) EPHX1HSD11B1
SCHEMBL29112277 0.76 HSD11B1 (0.33) EPHX1HSD11B1
SCHEMBL2159743 0.75 HSD11B1 (0.33) EPHX1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628677-B1 METHOD FOR PREPARING A CYCLOPEPTIDE UNIV NAT TSING HUA (TW) 2021-11-10 EP disclosed
EP-3392262-B1 CYCLOPEPTIDE, PHARMACEUTICAL OR COSMETIC COMPOSITION COMPRISING THE SAME AND METHOD FOR PREPARING THE SAME UNIV NAT TSING HUA (TW) 2021-08-18 EP disclosed
US-10851134-B2 Method for preparing cyclopeptide NATIONAL TSING HUA UNIVERSITY (TW) 2020-12-01 US disclosed
US-20200339632-A1 METHOD FOR PREPARING CYCLOPEPTIDE NATIONAL TSING HUA UNIVERSITY 2020-10-29 US disclosed
US-10745444-B2 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same NATIONAL TSING HUA UNIVERSITY (TW) 2020-08-18 US disclosed
EP-3628677-A1 METHOD FOR PREPARING A CYCLOPEPTIDE National Tsing Hua University (TW) 2020-04-01 EP disclosed
EP-3392262-A1 CYCLOPEPTIDE, PHARMACEUTICAL OR COSMETIC COMPOSITION COMPRISING THE SAME AND METHOD FOR PREPARING THE SAME National Tsing Hua University (TW) 2018-10-24 EP disclosed
US-20180298060-A1 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same NATIONAL TSING HUA UNIVERSITY (TW) 2018-10-18 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 (4 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-10851134-B2 Method for preparing cyclopeptide PPIB, PPIA, PPIL1 GRM2 4497/4885GRM6 4171/4885GRM3 4463/4885
US-10745444-B2 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same PSAP, PPIG, PPIB GRM2 4609/4885GRM6 4459/4885GRM3 4617/4885
US-20200339632-A1 METHOD FOR PREPARING CYCLOPEPTIDE PPIB, PPIA, PPIL1 GRM2 4497/4885GRM6 4171/4885GRM3 4463/4885
US-20180298060-A1 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same PSAP, PPIG, PPIB GRM2 4609/4885GRM6 4459/4885GRM3 4617/4885

“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.