SCHEMBL2076432

SCHEMBL2076432

CC(C)(C)[Si](C)(C)OCc1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
BRD4 O60885 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ENPP2 Q13822 1/20 0.36
F2 P00734 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL1607218 0.88 MEN1 (0.41) AHRCYP2A6BRD4ENPP2ABL1
SCHEMBL15902097 0.86 HDAC1 (0.40) AHRNR4A2CYP2A6USP2GAA
SCHEMBL15901906 0.83 HDAC1 (0.44) AHRNR4A2CYP2A6USP2GAA
SCHEMBL25097633 0.78 NOS1 (0.45) GAABRD4MAOB
SCHEMBL13836500 0.78 AHR (0.42) AHRNR4A2CYP2A6USP2GAA
SCHEMBL12803946 0.77 PRKCQ (0.30)
SCHEMBL3350182 0.77 KDR (0.52) BRD4HDAC1ABL1
SCHEMBL3149877 0.76 USP2 (0.50) AHRNR4A2CYP2A6USP2GAA
SCHEMBL1781944 0.76 DUT (0.39) ABL1
SCHEMBL27626299 0.76 USP2 (0.53) AHRNR4A2CYP2A6USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 EP disclosed
US-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF NATIONWIDE CHILDREN'S HOSPITAL (US) 2014-10-23 US disclosed
US-20090192155-A1 Identification of Compounds Suitable for Treating Ad MERCK SHARP & DOHME LIMITED (GB) 2009-07-30 US disclosed
US-7560481-B2 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-06-11 US disclosed
EP-1983979-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD Merck Sharp & Dohme Limited (GB) 2008-10-29 EP disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
EP-1851203-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-11-07 EP disclosed
WO-2007088400-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD MERCK SHARP & DOHME LIMITED (GB) 2007-08-09 WO disclosed
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBVIE INC. 2007-02-15 US disclosed
WO-2006086255-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-08-17 WO disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 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 (10 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-20140315956-A1 SMALL MOLECULE INHIBITORS OF IL-6 AND USES THEREOF IL6, STAT3, JAK2 AHR 353/4885NR4A2 2833/4885CYP2A6 214/4885
US-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 AHR 266/4885NR4A2 593/4885CYP2A6 663/4885
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants CNR2, CNR1, TRPV1 AHR 1564/4885NR4A2 1088/4885CYP2A6 709/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 AHR 4398/4885NR4A2 3844/4885CYP2A6 3717/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 AHR 4398/4885NR4A2 3844/4885CYP2A6 3717/4885
US-20090192155-A1 Identification of Compounds Suitable for Treating Ad PSEN2, MAPT, PSEN1 AHR 3714/4885NR4A2 961/4885CYP2A6 2794/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 AHR 4398/4885NR4A2 3844/4885CYP2A6 3717/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 AHR 4398/4885NR4A2 3844/4885CYP2A6 3717/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 AHR 4398/4885NR4A2 3844/4885CYP2A6 3717/4885
US-20080004259-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B AHR 2219/4885NR4A2 3556/4885CYP2A6 4718/4885

“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.