SCHEMBL1998300

SCHEMBL1998300

CN(C)C([C]=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
CHRM2 P08172 5/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
KCNH2 Q12809 5/20 0.42
KCNA5 P22460 2/20 0.42
SLC6A3 Q01959 5/20 0.41
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
KCNE1 P15382 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9849973 0.81 TSHR (0.49) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL833118 0.75 CYP1A2 (0.46) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL18988389 0.74 TSHR (0.57) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL4980374 0.74 SLC6A3 (0.48) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL30679621 0.74 TSHR (0.57) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL7400806 0.73 TSHR (0.47) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL755732 0.73 ALDH1A1 (0.47) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL6226578 0.72 TSHR (0.55) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL28029868 0.71 TSHR (0.53) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL11516132 0.71 SLC6A3 (0.45) TSHRSLC6A2SLC6A4CHRM2SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 US disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 US disclosed
EP-3046924-A1 HEPATITIS C VIRUS INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2016-07-27 EP disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
WO-2015042375-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
EP-2691093-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX Pharmaceuticals, Inc. (US) 2014-02-05 EP disclosed
CN-103561736-A Methods for treating drug-resistant hepatitis C virus infection with a 5,5-fused arylene or heteroarylene hepatitis C virus inhibitor IDENIX PHARMACEUTICALS INC 2014-02-05 CN disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
CN-102822175-A 5, 5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS INC (US) 2012-12-12 CN disclosed
EP-2513113-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
WO-2012135581-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US 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 (8 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 TSHR 4049/4885SLC6A2 4718/4885SLC6A4 4797/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 TSHR 1137/4885SLC6A2 1279/4885SLC6A4 1290/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 TSHR 1256/4885SLC6A2 1019/4885SLC6A4 804/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 TSHR 4049/4885SLC6A2 4718/4885SLC6A4 4797/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 TSHR 1256/4885SLC6A2 1019/4885SLC6A4 804/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TSHR 1137/4885SLC6A2 1279/4885SLC6A4 1290/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 TSHR 3923/4885SLC6A2 4208/4885SLC6A4 4638/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB TSHR 4573/4885SLC6A2 4697/4885SLC6A4 4784/4885

“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.