SCHEMBL20173868

SCHEMBL20173868

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.69
CAPN1 P07384 2/20 0.63
PTPN1 P18031 1/20 0.59
CTSK P43235 5/20 0.58
HTRA1 Q92743 1/20 0.57
CTSB P07858 2/20 0.56
MMP3 P08254 1/20 0.56
REN P00797 1/20 0.55
CTSS P25774 2/20 0.55

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
SCHEMBL21318267 0.92 CTSL (0.69) CTSLCAPN1CTSKCTSBCTSS
SCHEMBL20828108 0.92 CAPN1 (0.71) CTSLCAPN1PTPN1CTSKHTRA1
SCHEMBL30064827 0.91 CAPN1 (0.62) CTSLCAPN1CTSKCTSBMMP3
SCHEMBL16862451 0.89 CTSL (0.72) CTSLCTSKCTSBCTSS
SCHEMBL31705215 0.89 CAPN1 (0.74) CTSLCAPN1PTPN1CTSKHTRA1
Hydrochloric Acid SCHEMBL16862483 0.88 CTSL (0.70) CTSLCTSKCTSBCTSS
SCHEMBL31664357 0.88 CAPN1 (0.60) CTSLCAPN1CTSKHTRA1CTSB
SCHEMBL1661314 0.86 CTSL (0.68) CTSLCTSKCTSBCTSS
SCHEMBL7999200 0.86 CTSL (0.51) CTSLREN
SCHEMBL20173867 0.86 REN (0.62) CTSLCAPN1PTPN1CTSKREN

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 CTSL 4409/4885CAPN1 2273/4885PTPN1 2199/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B CTSL 4409/4885CAPN1 2273/4885PTPN1 2199/4885

“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.