SCHEMBL25410587

SCHEMBL25410587

CCOC(=O)CCN1C(=O)C(CC(F)(F)F)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.58
OPRK1 P41145 2/20 0.48
LMNA P02545 1/20 0.48
PDE3A Q14432 1/20 0.48
CTSB P07858 4/20 0.46
CTSL P07711 2/20 0.46
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
CHRM1 P11229 1/20 0.46
NR1I2 O75469 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
OPRM1 P35372 1/20 0.45
BRD4 O60885 1/20 0.43
CCKAR P32238 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
KCNH2 Q12809 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
SCHEMBL25413267 0.89 OPRK1 (0.51) CCKBROPRK1LMNAPDE3ACTSB
SCHEMBL26335025 0.86 CCKBR (0.58) CCKBROPRK1LMNAPDE3ACTSB
SCHEMBL31630196 0.86 CCKBR (0.58) CCKBROPRK1LMNAPDE3ACTSB
SCHEMBL31629920 0.85 CCKBR (0.62) CCKBROPRK1LMNAPDE3AHTR2B
SCHEMBL31630018 0.84 CCKBR (0.59) CCKBROPRK1LMNAPDE3AHTR2B
SCHEMBL31366516 0.84 CCKBR (0.59) CCKBROPRK1LMNAPDE3AHTR2B
SCHEMBL25412813 0.84 CTSB (0.54) CCKBROPRK1LMNAPDE3ACTSB
SCHEMBL26333834 0.83 CCKBR (0.60) CCKBROPRK1LMNAPDE3AHTR2B
SCHEMBL31366480 0.83 CCKBR (0.60) CCKBROPRK1LMNAPDE3AHTR2B
SCHEMBL25410327 0.83 CHRM1 (0.53) CCKBROPRK1LMNAPDE3ACTSB

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 CCKBR 3175/4885OPRK1 3835/4885LMNA 2728/4885

“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.