SCHEMBL8533449

SCHEMBL8533449

CCOC(=O)c1cnc(CBr)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL7996327 0.88 NLRP3 (0.43) NLRP3HDAC4HDAC6PLK1ALDH1A1
SCHEMBL1912564 0.87 NLRP3 (0.46) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL2313917 0.84 NLRP3 (0.44) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL23420812 0.83 FAAH (0.43) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL20239427 0.81 NPC1 (0.44) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL31716404 0.81 NLRP3 (0.43) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL24462324 0.81 NLRP3 (0.43) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL21332936 0.80 SMN1; SMN2 (0.47) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL26228364 0.80 NLRP3 (0.42) NLRP3HDAC4HDAC6ALDH1A1GAA
SCHEMBL1705417 0.80 NLRP3 (0.46) NLRP3HDAC4HDAC6ALDH1A1GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4298097-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
WO-2022180003-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO disclosed
US-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-10-22 US disclosed
EP-2819999-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Novartis AG (CH) 2015-01-07 EP disclosed
WO-2013128421-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-09-06 WO disclosed
US-5719140-A ANALGESICS, PROSTAGLANDIN-E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 EP disclosed
EP-0696283-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1996-02-14 EP disclosed
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5395932-A Analgesics, prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-03-07 US disclosed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 WO disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP 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 (3 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-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators NR5A1, AR, SRD5A1 NLRP3 2238/4885HDAC4 211/4885HDAC6 430/4885
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, SLC10A1, BCL2A1 NLRP3 214/4885HDAC4 2216/4885HDAC6 1101/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 NLRP3 1125/4885HDAC4 2969/4885HDAC6 2529/4885

“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.