SCHEMBL20173778

SCHEMBL20173778

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.60
ACE P12821 2/20 0.56
CTSK P43235 10/20 0.55
CTSL P07711 6/20 0.55
CTSS P25774 4/20 0.55
CAPN1 P07384 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CTSB P07858 2/20 0.53
ACE2 Q9BYF1 1/20 0.53
CTSD P07339 1/20 0.52
CTSE P14091 1/20 0.52
BACE1 P56817 1/20 0.52

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
SCHEMBL2499034 0.94 ALDH1A1 (0.61) RENACECTSKCTSLCTSS
SCHEMBL20173777 0.93 ACE (0.65) RENACECTSKCTSLCTSS
SCHEMBL20173744 0.91 REN (0.58) RENACECTSKCTSLCTSS
SCHEMBL7303514 0.90 ACE (0.64) RENACEALDH1A1CYP3A4TSHR
SCHEMBL18620591 0.90 ACE (0.64) RENACEALDH1A1CYP3A4TSHR
SCHEMBL13402455 0.90 REN (0.51) RENACECTSKCTSLCTSS
SCHEMBL7392156 0.86 ACE (0.64) RENACECTSKCTSLCTSS
SCHEMBL14493034 0.86 ACE (0.64) RENACECTSKCTSLCTSS
SCHEMBL20484750 0.86 ACE (0.64) RENACECTSKCTSLCTSS
SCHEMBL13402433 0.86 STAT3 (0.56) RENACEACE2CTSDCTSE

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 REN 2892/4885ACE 3992/4885CTSK 3127/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B REN 2892/4885ACE 3992/4885CTSK 3127/4885

“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.