SCHEMBL31366480

SCHEMBL31366480

CCOC(=O)CCN1C(=O)[C@H](C(C)C)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.60
HDAC3 O15379 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 2/20 0.53
LMNA P02545 1/20 0.50
OPRK1 P41145 1/20 0.50
PDE3A Q14432 1/20 0.50
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
CHRM1 P11229 4/20 0.47
CCKAR P32238 1/20 0.45
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
KCNH2 Q12809 1/20 0.42
NOTCH1 P46531 1/20 0.42
RBPJ Q06330 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL26333834 1.00 CCKBR (0.60) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL25412491 0.93 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL31366583 0.93 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL25412494 0.93 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL25412495 0.93 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL31366624 0.92 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL31630024 0.92 CCKBR (0.59) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL25410334 0.89 HDAC3 (0.58) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL31366620 0.89 HDAC3 (0.58) CCKBRHDAC3HDAC1HDAC6HDAC8
SCHEMBL25410339 0.89 HDAC3 (0.58) CCKBRHDAC3HDAC1HDAC6HDAC8

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
CN-119072467-A Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof 巴鲁克斯布伦博格研究所 2024-12-03 CN 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 3175/4885HDAC3 1588/4885HDAC1 2365/4885

“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.