SCHEMBL9977466

SCHEMBL9977466

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CCCC6)[nH]5)ccc4c3)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.51
PRCP P42785 10/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
NR1I2 O75469 2/20 0.50
ABCB11 O95342 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43

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
SCHEMBL12565410 1.00 HPGDS (0.51) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL2710848 0.95 CYP3A4 (0.54) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL203107 0.95 CYP3A4 (0.54) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL2757500 0.95 CYP3A4 (0.54) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL10177193 0.94 HPGDS (0.57) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL2709400 0.93 PRCP (0.54) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL12567824 0.92 HPGDS (0.50) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL12565411 0.92 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL7604983 0.92 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL7601971 0.92 HPGDS (0.52) HPGDSPRCPCYP3A4CYP2C9NR1I2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 HPGDS 3219/4885PRCP 1157/4885CYP3A4 1292/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885

“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.