SCHEMBL20173869

SCHEMBL20173869

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.63
KISS1R Q969F8 3/20 0.59
PTPN2 P17706 2/20 0.55
PTPN1 P18031 2/20 0.55
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
NPY4R P50391 3/20 0.49
NPY1R P25929 2/20 0.49
NPY2R P49146 2/20 0.49
NPY5R Q15761 2/20 0.49
GNPAT O15228 1/20 0.49
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL20173872 0.92 REN (0.59) RENKISS1RNPY4RNPY1RNPY2R
SCHEMBL20173867 0.91 REN (0.62) RENPTPN1
SCHEMBL23352495 0.88 REN (0.56) RENKISS1RPSEN1PSEN2APH1B
SCHEMBL20516080 0.87 REN (0.61) RENPTPN1PSEN1PSEN2APH1B
SCHEMBL20669327 0.87 REN (0.61) RENPTPN1PSEN1PSEN2APH1B
SCHEMBL22962329 0.87 REN (0.61) RENPTPN1PSEN1PSEN2APH1B
SCHEMBL28617005 0.87 REN (0.61) RENPTPN1PSEN1PSEN2APH1B
SCHEMBL28617007 0.87 REN (0.61) RENPTPN1PSEN1PSEN2APH1B
SCHEMBL30531002 0.87 GNPAT (0.62) PTPN2PTPN1CA1CA2GNPAT
SCHEMBL22962260 0.86 REN (0.61) RENPTPN1PSEN1PSEN2APH1B

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 2892/4885KISS1R 2969/4885PTPN2 1660/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B REN 2892/4885KISS1R 2969/4885PTPN2 1660/4885

“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.