SCHEMBL20173867

SCHEMBL20173867

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.62
CTSL P07711 2/20 0.61
CAPN1 P07384 3/20 0.56
PTPN1 P18031 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
CTSK P43235 3/20 0.53
CAPN2 P17655 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
SCHEMBL20653746 0.95 CTSL (0.67) RENCTSLSIRT2CTSK
SCHEMBL21981425 0.93 CAPN1 (0.58) RENCTSLCAPN1CTSKCAPN2
SCHEMBL21981423 0.93 CAPN1 (0.58) RENCTSLCAPN1CTSKCAPN2
SCHEMBL21981346 0.92 CAPN1 (0.59) RENCTSLCAPN1SIRT2CTSK
SCHEMBL20669092 0.92 CAPN1 (0.59) RENCTSLCAPN1SIRT2CTSK
SCHEMBL18072615 0.91 CTSL (0.61) RENCTSLSIRT2
SCHEMBL17073778 0.91 CTSL (0.64) RENCTSLSIRT2CTSK
SCHEMBL20173869 0.91 REN (0.63) RENPTPN1
SCHEMBL21219296 0.90 REN (0.57) RENCAPN1CAPN2
SCHEMBL21219294 0.90 REN (0.57) RENCAPN1CAPN2

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 2892/4885CTSL 4409/4885CAPN1 2273/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B REN 2892/4885CTSL 4409/4885CAPN1 2273/4885

“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.