SCHEMBL1532382

SCHEMBL1532382

CC(C)C1C[C@@]1(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.42
GRM5 P41594 5/20 0.42
GRM1 Q13255 3/20 0.42
GRM6 O15303 5/20 0.41
GRM3 Q14832 3/20 0.41
SLC6A4 P31645 1/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
GRM4 Q14833 6/20 0.38
GRM8 O00222 2/20 0.38

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
SCHEMBL9666966 1.00 GRM2 (0.42) GRM2GRM5GRM1GRM6GRM3
SCHEMBL20533656 0.81 GRM2 (0.39) GRM2GRM5GRM1GRM6GRM3
SCHEMBL20533654 0.81 GRM2 (0.39) GRM2GRM5GRM1GRM6GRM3
SCHEMBL25907708 0.77 GRM2 (0.42) GRM2GRM5GRM1GRM6GRM3
Hydrochloric Acid SCHEMBL32674405 0.75 NPSR1 (0.33)
SCHEMBL15909554 0.70
SCHEMBL15428478 0.70
SCHEMBL11232712 0.70 HSD11B1 (0.32)
SCHEMBL5899735 0.70 SLC6A2 (0.34) GRM2GRM5GRM1
Hydrochloric Acid SCHEMBL25384535 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 US disclosed
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
EP-2252310-A1 HETEROCYCLIC PEPTIDE KETOAMIDES Georgia Tech Research Corporation (US) 2010-11-24 EP disclosed
EP-1692098-B1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP disclosed
WO-2009099416-A1 HETEROCYCLIC PEPTIDE KETOAMIDES GEORGIA TECH RESEARCH CORPORATION (US) 2009-08-13 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-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES CAPNS1, CAPN1, CAPN2 GRM2 3000/4885GRM5 4281/4885GRM1 3063/4885

“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.