SCHEMBL25409864

SCHEMBL25409864

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCC#N)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.52
LMNA P02545 1/20 0.52
PDE3A Q14432 1/20 0.52
CHRM1 P11229 5/20 0.51
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC8 Q9BY41 1/20 0.50
PDE4D Q08499 2/20 0.45
HTR2B P41595 1/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
CACNA1F O60840 1/20 0.43
ALB P02768 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL31366637 1.00 OPRK1 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25409870 1.00 OPRK1 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25408967 0.92 HDAC3 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL31366547 0.92 HDAC3 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25408963 0.92 HDAC3 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25408970 0.92 HDAC3 (0.52) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL31366661 0.86 CHRM1 (0.56) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25410334 0.85 HDAC3 (0.58) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL25410339 0.85 HDAC3 (0.58) OPRK1LMNAPDE3ACHRM1HDAC3
SCHEMBL31366620 0.85 HDAC3 (0.58) OPRK1LMNAPDE3ACHRM1HDAC3

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-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
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.