SCHEMBL1998451

SCHEMBL1998451

CC1(O)CCN([C@@H]([C]=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.51
OPRM1 P35372 17/20 0.45
OPRK1 P41145 16/20 0.45
OPRD1 P41143 14/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1998449 1.00 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL1991830 0.83 OPRL1 (0.74) OPRL1OPRM1OPRK1OPRD1
SCHEMBL1991833 0.83 OPRL1 (0.74) OPRL1OPRM1OPRK1OPRD1
SCHEMBL1991989 0.78 CYP1A2 (0.55) OPRL1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1991987 0.78 CYP1A2 (0.55) OPRL1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1993040 0.77 CHRM1 (0.59) OPRM1OPRK1OPRD1ALDH1A1CYP3A4
SCHEMBL1992677 0.76 CYP1A2 (0.57) ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1033178 0.76 CYP1A2 (0.57) ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL303920 0.76 LMNA (0.63) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL2707046 0.76 LMNA (0.63) OPRL1OPRM1OPRK1OPRD1ALDH1A1

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
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 OPRL1 3866/4885OPRM1 1294/4885OPRK1 1517/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 OPRL1 124/4885OPRM1 144/4885OPRK1 310/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 OPRL1 106/4885OPRM1 160/4885OPRK1 295/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 OPRL1 3866/4885OPRM1 1294/4885OPRK1 1517/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 OPRL1 106/4885OPRM1 160/4885OPRK1 295/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 OPRL1 124/4885OPRM1 144/4885OPRK1 310/4885
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 OPRL1 4201/4885OPRM1 2641/4885OPRK1 2154/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB OPRL1 4589/4885OPRM1 2861/4885OPRK1 3142/4885

“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.