SCHEMBL26587451

SCHEMBL26587451

CC(C)C(=O)c1cc(Br)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.35
OPRK1 P41145 7/20 0.33
DGAT1 O75907 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
FFAR1 O14842 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL31178384 0.84 DGAT1 (0.33) DGAT2OPRK1DGAT1POLBHCAR2
SCHEMBL25317296 0.84 DGAT1 (0.33) DGAT2OPRK1DGAT1POLBHCAR2
SCHEMBL31356591 0.80 OPRK1 (0.42) DGAT2OPRK1DGAT1HSD17B10POLB
SCHEMBL9648890 0.80 OPRK1 (0.42) DGAT2OPRK1DGAT1HSD17B10POLB
SCHEMBL19209859 0.79 ALDH1A1 (0.33) OPRK1FFAR1ALDH1A1
SCHEMBL29498804 0.78 NAPRT (0.46) OPRK1DGAT1HSD17B10POLBHCAR2
SCHEMBL1516793 0.78 NAPRT (0.46) OPRK1DGAT1HSD17B10POLBHCAR2
SCHEMBL26023823 0.78 DGAT1 (0.36) DGAT2OPRK1DGAT1POLBHCAR2
SCHEMBL21815554 0.77 ALDH1A1 (0.35) DGAT2OPRK1DGAT1POLBHCAR2
SCHEMBL25335179 0.77 DGAT1 (0.52) DGAT1POLBHCAR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504709-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2025-02-12 EP disclosed
CN-119137103-A CDK9 inhibitors 拜奥列司治疗有限公司 2024-12-13 CN disclosed
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF PHARMARON UK LTD. (GB) 2024-05-09 US disclosed
US-20240150322-A1 CDK9 Inhibitors BAERENKRAFT THERAPEUTICS, LLC 2024-05-09 US disclosed
WO-2023196518-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 WO disclosed
WO-2023196518-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 WO disclosed
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 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 (2 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-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 DGAT2 275/4885OPRK1 1826/4885DGAT1 565/4885
US-20240150322-A1 CDK9 Inhibitors CDK9, CDK19, CDK1 DGAT2 4834/4885OPRK1 2419/4885DGAT1 4759/4885

“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.