SCHEMBL20174030

SCHEMBL20174030

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.67
MAPK1 P28482 1/20 0.60
CMA1 P23946 5/20 0.60
REN P00797 3/20 0.56
ACE2 Q9BYF1 5/20 0.55
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53

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
SCHEMBL22961962 0.94 ACE (0.72) ACECMA1ACE2F2PRSS1
SCHEMBL5900839 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL22409423 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL3692085 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL5900836 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL3692081 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL8378100 0.90 ACE (0.77) ACECMA1ACE2F2PRSS1
SCHEMBL20173777 0.89 ACE (0.65) ACERENACE2
SCHEMBL22962169 0.88 ACE (0.67) ACECMA1ACE2F2PRSS1
SCHEMBL23832913 0.87 ACE (0.55) ACEMAPK1CMA1RENACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889543-B2 Fine-tune modulators of neuronal excitability for neuropsychiatric disorders THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-12 US disclosed
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-05 US disclosed
WO-2018094335-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-24 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 (2 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-10889543-B2 Fine-tune modulators of neuronal excitability for neuropsychiatric disorders CACNG6, KCNN3, SCN1B ACE 3992/4885MAPK1 3059/4885CMA1 4703/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B ACE 3992/4885MAPK1 3059/4885CMA1 4703/4885

“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.