SCHEMBL25410141

SCHEMBL25410141

COC(=O)CN1C(=O)[C@H](C(C)(C)O)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.50
LMNA P02545 1/20 0.50
PDE3A Q14432 1/20 0.50
CCKBR P32239 7/20 0.49
CHRM1 P11229 1/20 0.48
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCKAR P32238 1/20 0.44
MCL1 Q07820 1/20 0.44
NR1I2 O75469 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
OPRM1 P35372 1/20 0.43
OXTR P30559 1/20 0.42

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
SCHEMBL25410148 1.00 OPRK1 (0.50) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL25410541 0.93 CCKBR (0.52) OPRK1LMNAPDE3ACCKBRHTR2B
SCHEMBL25410549 0.93 CCKBR (0.52) OPRK1LMNAPDE3ACCKBRHTR2B
SCHEMBL25413305 0.92 OPRK1 (0.49) OPRK1LMNAPDE3ACCKBRHTR2B
SCHEMBL25409659 0.90 OPRK1 (0.53) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL31366595 0.90 OPRK1 (0.53) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL25409665 0.90 OPRK1 (0.53) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL25413379 0.85 OPRK1 (0.54) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL25409104 0.85 OPRK1 (0.54) OPRK1LMNAPDE3ACCKBRCHRM1
SCHEMBL31366569 0.85 OPRK1 (0.54) OPRK1LMNAPDE3ACCKBRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE 2025-06-19 US disclosed
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 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 (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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE CUL4B, BRD4, CUL4A OPRK1 3835/4885LMNA 2728/4885PDE3A 3532/4885

“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.