SCHEMBL20173777

SCHEMBL20173777

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
ACE2 Q9BYF1 2/20 0.61
REN P00797 1/20 0.60
CTSK P43235 10/20 0.57
CTSL P07711 6/20 0.57
CTSS P25774 4/20 0.57
CAPN1 P07384 2/20 0.55
CTSB P07858 2/20 0.54

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
SCHEMBL14493034 0.94 ACE (0.64) ACEACE2RENCTSKCTSL
SCHEMBL7392156 0.94 ACE (0.64) ACEACE2RENCTSKCTSL
SCHEMBL20484750 0.94 ACE (0.64) ACEACE2RENCTSKCTSL
SCHEMBL20173744 0.93 REN (0.58) ACEACE2RENCTSKCTSL
SCHEMBL20173778 0.93 REN (0.60) ACEACE2RENCTSKCTSL
SCHEMBL28348753 0.92 ACE (0.62) ACEACE2RENCTSKCTSL
Boric Acid SCHEMBL28346456 0.91 ACE (0.61) ACEACE2RENCTSKCTSL
SCHEMBL13402459 0.90 ACE (0.53) ACEACE2RENCTSKCTSL
SCHEMBL30890831 0.89 ACE (0.65) ACEACE2CTSKCTSLCTSS
SCHEMBL6979828 0.89 ACE (0.76) ACEACE2REN

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 3992/4885ACE2 2858/4885REN 2892/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B ACE 3992/4885ACE2 2858/4885REN 2892/4885

“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.