SCHEMBL6912977

SCHEMBL6912977

CC(C)(C)OC(=O)C1(CCCBr)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
DGAT1 O75907 1/20 0.33
P4HB P07237 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL187406 0.95 CYP4F2 (0.51) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798231 0.93 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971378 0.93 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971079 0.93 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798460 0.93 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL23971374 0.93 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL10298123 0.89 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798227 0.87 CYP4F2 (0.60) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL798441 0.87 CYP4F2 (0.60) CYP4F2CYP4A11DGAT1P4HBTDP1
SCHEMBL797984 0.87 CYP4F2 (0.60) CYP4F2CYP4A11DGAT1P4HBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2025-06-19 US disclosed
WO-2024054845-A1 MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 CN disclosed
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 CN disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 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 (4 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-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 CYP4F2 1256/4885CYP4A11 594/4885DGAT1 1327/4885
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 CYP4F2 1813/4885CYP4A11 2695/4885DGAT1 3026/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI CYP4F2 625/4885CYP4A11 666/4885DGAT1 2294/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 CYP4F2 2191/4885CYP4A11 2812/4885DGAT1 3276/4885

“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.