SCHEMBL24360693

SCHEMBL24360693

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.66
OPRM1 P35372 7/20 0.57
NPY4R P50391 3/20 0.54
NPY1R P25929 2/20 0.54
NPY2R P49146 2/20 0.54
NPY5R Q15761 2/20 0.54
NMUR2 Q9GZQ4 1/20 0.54
NMUR1 Q9HB89 1/20 0.54

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
SCHEMBL18176610 0.98 OPRK1 (0.63) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30689267 0.95 OPRK1 (0.59) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL18176633 0.95 OPRK1 (0.65) OPRK1OPRM1NMUR2NMUR1
SCHEMBL31384592 0.93 NPY4R (0.60) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL31384595 0.93 NPY4R (0.60) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30689268 0.93 OPRK1 (0.58) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL21886404 0.92 OPRK1 (0.56) OPRK1OPRM1NMUR2NMUR1
SCHEMBL18176637 0.91 OPRK1 (0.79) OPRK1NMUR2NMUR1
SCHEMBL18176632 0.90 OPRK1 (0.60) OPRK1OPRM1
SCHEMBL29972993 0.90 NMUR2 (0.60) NPY4RNPY1RNPY2RNPY5RNMUR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US 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 (1 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-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRK1 554/4885OPRM1 814/4885NPY4R 502/4885

“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.