SCHEMBL1996393

SCHEMBL1996393

COC(=O)NC([C]=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
CXCL8 P10145 2/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2B6 P20813 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
P2RY12 Q9H244 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38

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
SCHEMBL1996394 1.00 OPRM1 (0.39) OPRM1OPRL1CXCL8THRBCASP1
SCHEMBL14864791 0.79 ROCK2 (0.46) OPRM1OPRL1CXCL8SMN1; SMN2ADRB2
SCHEMBL15867479 0.79 ROCK2 (0.46) OPRM1OPRL1CXCL8SMN1; SMN2ADRB2
SCHEMBL1998567 0.77 KMT2A (0.47) CYP2C19OPRK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1998569 0.77 KMT2A (0.47) CYP2C19OPRK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL18526783 0.76 OPRM1 (0.43) OPRM1OPRL1CXCL8CYP2C19CTSA
SCHEMBL12174900 0.76 CYP2C19 (0.41) OPRM1OPRL1THRBCASP1NR1I2
SCHEMBL305752 0.76 OPRM1 (0.43) OPRM1OPRL1CXCL8CYP2C19CTSA
SCHEMBL28408218 0.75 ADRB2 (0.43) OPRM1OPRL1CXCL8THRBCASP1
SCHEMBL18782862 0.75 PRSS1 (0.45) OPRM1OPRL1THRBCASP1NR1I2

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 14 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
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
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
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 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 (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 OPRM1 1294/4885OPRL1 3866/4885CXCL8 687/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 OPRM1 144/4885OPRL1 124/4885CXCL8 26/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 OPRM1 160/4885OPRL1 106/4885CXCL8 14/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 OPRM1 1294/4885OPRL1 3866/4885CXCL8 687/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 OPRM1 160/4885OPRL1 106/4885CXCL8 14/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 OPRM1 144/4885OPRL1 124/4885CXCL8 26/4885
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 OPRM1 2641/4885OPRL1 4201/4885CXCL8 498/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB OPRM1 2861/4885OPRL1 4589/4885CXCL8 609/4885

“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.