SCHEMBL20173733

SCHEMBL20173733

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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 9)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 2/20 0.54
NMUR1 Q9HB89 2/20 0.54
OPRM1 P35372 10/20 0.53
OPRK1 P41145 9/20 0.53
OPRD1 P41143 6/20 0.52
NPFFR1 Q9GZQ6 2/20 0.51
NPFFR2 Q9Y5X5 2/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 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
SCHEMBL22871635 0.95 OPRM1 (0.52) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL21318194 0.94 NMUR2 (0.51) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL20173734 0.91 OPRM1 (0.54) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL20173727 0.90 OPRM1 (0.54) NMUR2NMUR1OPRM1OPRK1F2
SCHEMBL20173779 0.86 KMT2A (0.48) F2PRSS1
SCHEMBL22871631 0.85 ITGB3 (0.53) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL20173872 0.84 REN (0.59) OPRK1
SCHEMBL20174122 0.83 OPRK1 (0.61) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL22962005 0.82 F2 (0.58) OPRM1OPRD1F2PRSS1
SCHEMBL17553458 0.82 PAX8 (0.52)

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 NMUR2 217/4885NMUR1 248/4885OPRM1 587/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B NMUR2 217/4885NMUR1 248/4885OPRM1 587/4885

“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.