SCHEMBL1993040

SCHEMBL1993040

CN1CCN(C([C]=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.59
CHRM2 P08172 4/20 0.59
CYP2D6 P10635 4/20 0.59
ADRA2A P08913 3/20 0.59
DRD1 P21728 3/20 0.59
DRD3 P35462 3/20 0.59
SLC6A3 Q01959 3/20 0.59
KCNH2 Q12809 3/20 0.59
OPRM1 P35372 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM3 P20309 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59
MC4R P32245 4/20 0.58
HTR1A P08908 2/20 0.50

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
SCHEMBL1991989 0.83 CYP1A2 (0.55) CHRM1CHRM2CYP2D6KCNH2CHRM4
SCHEMBL1991987 0.83 CYP1A2 (0.55) CHRM1CHRM2CYP2D6KCNH2CHRM4
SCHEMBL14593219 0.82 CHRM2 (0.59) CHRM1CHRM2CYP2D6ADRA2ADRD1
SCHEMBL1992677 0.81 CYP1A2 (0.57) CHRM1CHRM2CYP2D6KCNH2CHRM4
SCHEMBL1033178 0.81 CYP1A2 (0.57) CHRM1CHRM2CYP2D6KCNH2CHRM4
SCHEMBL11809431 0.79 MEN1 (0.59) CHRM1CHRM2SLC6A3SLC6A2SLC6A4
SCHEMBL1036894 0.79 ALDH1A1 (0.50) TSHRCYP2C19SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1992657 0.79 ALDH1A1 (0.50) TSHRCYP2C19SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1998451 0.77 OPRL1 (0.51) CYP2D6OPRM1ALDH1A1CYP3A4OPRD1
SCHEMBL1998449 0.77 OPRL1 (0.51) CYP2D6OPRM1ALDH1A1CYP3A4OPRD1

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 CHRM1 4671/4885CHRM2 4828/4885CYP2D6 99/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 CHRM1 99/4885CHRM2 429/4885CYP2D6 1955/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 CHRM1 648/4885CHRM2 1299/4885CYP2D6 2221/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 CHRM1 4671/4885CHRM2 4828/4885CYP2D6 99/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 CHRM1 648/4885CHRM2 1299/4885CYP2D6 2221/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 CHRM1 99/4885CHRM2 429/4885CYP2D6 1955/4885
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 CHRM1 4768/4885CHRM2 4824/4885CYP2D6 103/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB CHRM1 4356/4885CHRM2 4440/4885CYP2D6 921/4885

“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.