SCHEMBL1992677

SCHEMBL1992677

O=[C][C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.57
CYP2C19 P33261 6/20 0.57
CYP3A4 P08684 5/20 0.57
CYP2D6 P10635 5/20 0.57
CYP2C9 P11712 5/20 0.57
KCNA5 P22460 5/20 0.57
KCNH2 Q12809 4/20 0.57
KCNE1 P15382 1/20 0.57
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ACHE P22303 1/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1033178 1.00 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL1991989 0.98 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL1991987 0.98 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL1036894 0.81 ALDH1A1 (0.50) CYP2C19CYP3A4KCNA5LMNATSHR
SCHEMBL1992657 0.81 ALDH1A1 (0.50) CYP2C19CYP3A4KCNA5LMNATSHR
SCHEMBL1993040 0.81 CHRM1 (0.59) CYP2C19CYP3A4CYP2D6KCNH2GAA
SCHEMBL11809431 0.81 MEN1 (0.59) KMT2AMEN1CHRM2CHRM1
SCHEMBL15709821 0.81 CYP2C19 (0.57) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL519228 0.81 ALDH1A1 (0.69) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL1992870 0.79 KCNA3 (0.47) LMNAALDH1A1KDM4E

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 16 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
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-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO 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-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 CYP1A2 17/4885CYP2C19 91/4885CYP3A4 29/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 CYP1A2 2178/4885CYP2C19 2454/4885CYP3A4 2746/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 CYP1A2 2843/4885CYP2C19 2178/4885CYP3A4 2558/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CYP1A2 17/4885CYP2C19 91/4885CYP3A4 29/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 CYP1A2 2843/4885CYP2C19 2178/4885CYP3A4 2558/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 CYP1A2 2178/4885CYP2C19 2454/4885CYP3A4 2746/4885
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 CYP1A2 29/4885CYP2C19 65/4885CYP3A4 60/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB CYP1A2 323/4885CYP2C19 658/4885CYP3A4 441/4885

“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.