SCHEMBL2707683

SCHEMBL2707683

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Oc3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
CYP2C9 P11712 3/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
OPRK1 P41145 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRCP P42785 8/20 0.53
HPGDS O60760 3/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL203160 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15368454 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL749185 0.96 PRCP (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2706110 0.96 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10092430 0.95 HPGDS (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL753302 0.95 CYP3A4 (0.60) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL11910995 0.95 CYP3A4 (0.60) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18845571 0.94 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15854475 0.94 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL203852 0.93 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9932326-B2 Potent and selective inhibitors of hepatitis C virus Cocrystal Pharma, LLC (US) 2018-04-03 US disclosed
US-9932326-B2 Potent and selective inhibitors of hepatitis C virus Cocrystal Pharma, LLC (US) 2018-04-03 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20160068518-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS EMORY UNIVERSITY 2016-03-10 US disclosed
US-20160068518-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS EMORY UNIVERSITY 2016-03-10 US disclosed
EP-2963034-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS RFS Pharma, LLC. (US) 2016-01-06 EP disclosed
US-9181227-B2 Potent and selective inhibitors of hepatitis C virus COCRYSTAL PHARMA, INC. (US) 2015-11-10 US disclosed
US-9181227-B2 Potent and selective inhibitors of hepatitis C virus COCRYSTAL PHARMA, INC. (US) 2015-11-10 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2012027712-A2 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS RFS PHARMA, LLC (US) 2012-03-01 WO disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (6 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-20160068518-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP3A4 208/4885CYP2C9 329/4885NR1I2 413/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 CYP3A4 58/4885CYP2C9 67/4885NR1I2 65/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885

“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.