SCHEMBL25601934

SCHEMBL25601934

N=C(N)NCCC[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)CN)c1ccccc1)C(=O)NCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
PRSS1 P07477 3/20 0.44
F2 P00734 2/20 0.44
GPR88 Q9GZN0 1/20 0.43
NPY1R P25929 11/20 0.42
GAA P10253 1/20 0.40
NPY4R P50391 2/20 0.40
NPY5R Q15761 2/20 0.40
QRFPR Q96P65 1/20 0.39
NPFFR1 Q9GZQ6 2/20 0.39
NPFFR2 Q9Y5X5 2/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL8112679 0.82 NPY1R (0.58) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL29590479 0.77 QRFPR (0.53) NPY1RNPY4RNPY5RQRFPR
SCHEMBL4283125 0.76 EPHX2 (0.38) F10NPY1RNPY4RNPY5RQRFPR
SCHEMBL29590985 0.76 QRFPR (0.56) NPY1RNPY4RNPY5RQRFPR
SCHEMBL29591802 0.76 QRFPR (0.54) NPY1RNPY4RNPY5RQRFPR
SCHEMBL30121028 0.76 QRFPR (0.56) NPY1RNPY4RNPY5RQRFPR
SCHEMBL16181288 0.75 NPY1R (0.56) F2NPY1R
SCHEMBL29875551 0.75 C3AR1 (0.40) NPY1RNPY4RNPY5RQRFPR
SCHEMBL21883428 0.75 QRFPR (0.55) NPY1RNPY4RNPY5RQRFPR
SCHEMBL7751683 0.75 NPY1R (0.62) NPY1RNPY4RNPY5RNPFFR1NPFFR2

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-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE UNIV LOUISIANA STATE (US) 2023-06-15 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-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE OPRK1, OPRL1, AVPR1A F10 2610/4885PRSS1 1694/4885F2 903/4885

“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.