SCHEMBL616134

SCHEMBL616134

C[Si](C)(C)CCOCn1c(C=O)nc(Br)c1Br

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
NPC1 O15118 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
SCHEMBL13223304 0.87 DGAT1 (0.34) DGAT1NPC1
SCHEMBL67719 0.80 DGAT1 (0.35) DGAT1NPC1
SCHEMBL4837991 0.79 F11 (0.38) DGAT1NPC1
SCHEMBL6211362 0.79 NPC1 (0.35) DGAT1NPC1
SCHEMBL5213310 0.78 DGAT1 (0.37) DGAT1NPC1
SCHEMBL15459169 0.78 NPC1 (0.32) DGAT1NPC1
SCHEMBL23123528 0.76 DGAT1 (0.34) DGAT1NPC1
SCHEMBL30449989 0.75 DGAT1 (0.34) DGAT1NPC1
SCHEMBL5214265 0.75 DGAT1 (0.34) DGAT1NPC1
SCHEMBL25586533 0.75 DGAT1 (0.36) DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (9 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 DGAT1 4019/4885NPC1 1079/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 DGAT1 4019/4885NPC1 1079/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 DGAT1 4152/4885NPC1 2027/4885

“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.