SCHEMBL20173734

SCHEMBL20173734

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.54
OPRK1 P41145 9/20 0.54
NMUR2 Q9GZQ4 7/20 0.52
NMUR1 Q9HB89 7/20 0.52
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
REN P00797 1/20 0.49
OPRD1 P41143 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
SCHEMBL20173727 0.92 OPRM1 (0.54) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL20173733 0.91 NMUR2 (0.54) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL22871631 0.87 ITGB3 (0.53) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL22871635 0.86 OPRM1 (0.52) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL22962005 0.86 F2 (0.58) OPRM1F2PRSS1RENOPRD1
SCHEMBL21318194 0.85 NMUR2 (0.51) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL22962350 0.84 F2 (0.57) F2PRSS1
SCHEMBL20173779 0.84 KMT2A (0.48) F2PRSS1
SCHEMBL20174121 0.83 F2 (0.54) OPRK1F2PRSS1REN
SCHEMBL9815839 0.81 F2 (0.62) OPRM1OPRK1F2PRSS1

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 OPRM1 587/4885OPRK1 282/4885NMUR2 217/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B OPRM1 587/4885OPRK1 282/4885NMUR2 217/4885

“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.