SCHEMBL1993025

SCHEMBL1993025

O=[C]C(c1ccccc1)N1CCC(F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 6/20 0.34
CYP1A2 P05177 5/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP3A4 P08684 4/20 0.34
KCNA5 P22460 4/20 0.34
KCNH2 Q12809 4/20 0.34
OPRL1 P41146 2/20 0.33
KCNE1 P15382 1/20 0.33
KCNA3 P22001 1/20 0.33
HSD11B1 P28845 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL1993026 1.00 DPP4 (0.38) DPP4DPP7L3MBTL3L3MBTL1CHRNB4
SCHEMBL1992870 0.79 KCNA3 (0.47) L3MBTL3L3MBTL1ALDH1A1OPRL1KCNA3
SCHEMBL1991909 0.77 KCNH2 (0.44) L3MBTL1CYP2D6CYP1A2CYP2C9KCNH2
SCHEMBL1991989 0.75 CYP1A2 (0.55) ALDH1A1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL1991987 0.75 CYP1A2 (0.55) ALDH1A1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL12137589 0.74 LMNA (0.58) DPP4DPP7L3MBTL1ALDH1A1CYP2C19
SCHEMBL622694 0.74 LMNA (0.58) DPP4DPP7L3MBTL1ALDH1A1CYP2C19
SCHEMBL627928 0.74 LMNA (0.58) DPP4DPP7L3MBTL1ALDH1A1CYP2C19
SCHEMBL3728983 0.74 LMNA (0.58) DPP4DPP7L3MBTL1ALDH1A1CYP2C19
SCHEMBL1992677 0.74 CYP1A2 (0.57) ALDH1A1CYP2D6CYP1A2CYP2C9CYP2C19

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 13 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-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
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
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
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 DPP4 1564/4885DPP7 759/4885L3MBTL3 3955/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 DPP4 2910/4885DPP7 2169/4885L3MBTL3 3759/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 DPP4 2422/4885DPP7 1851/4885L3MBTL3 3865/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 DPP4 1564/4885DPP7 759/4885L3MBTL3 3955/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 DPP4 2422/4885DPP7 1851/4885L3MBTL3 3865/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 DPP4 2910/4885DPP7 2169/4885L3MBTL3 3759/4885
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 DPP4 1301/4885DPP7 441/4885L3MBTL3 2844/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB DPP4 1593/4885DPP7 2070/4885L3MBTL3 957/4885

“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.