SCHEMBL20173872

SCHEMBL20173872

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.59
KISS1R Q969F8 6/20 0.57
NPY4R P50391 4/20 0.52
NPY1R P25929 2/20 0.52
NPY2R P49146 2/20 0.52
NPY5R Q15761 2/20 0.52
OPRK1 P41145 2/20 0.51

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
SCHEMBL21981319 0.94 REN (0.53) RENKISS1RNPY4RNPY1ROPRK1
SCHEMBL21981320 0.94 REN (0.53) RENKISS1RNPY4RNPY1ROPRK1
SCHEMBL17553458 0.94 PAX8 (0.52) RENKISS1R
SCHEMBL28269289 0.92 NPY4R (0.53) RENKISS1RNPY4RNPY1ROPRK1
SCHEMBL20173869 0.92 REN (0.63) RENKISS1RNPY4RNPY1RNPY2R
SCHEMBL23352495 0.92 REN (0.56) RENKISS1RNPY4RNPY1RNPY2R
SCHEMBL20669110 0.92 NPY4R (0.53) RENKISS1RNPY4RNPY1ROPRK1
SCHEMBL22871636 0.90 REN (0.52) RENKISS1ROPRK1
SCHEMBL20173867 0.88 REN (0.62) REN
SCHEMBL17254230 0.87 PAX8 (0.53)

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 2969/4885NPY4R 521/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B REN 2892/4885KISS1R 2969/4885NPY4R 521/4885

“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.