SCHEMBL725968

SCHEMBL725968

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.64
HPGDS O60760 3/20 0.60
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
OPRK1 P41145 1/20 0.56
KCNH2 Q12809 1/20 0.56
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL10145019 1.00 PRCP (0.64) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL4957215 0.98 HPGDS (0.62) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL4957220 0.98 HPGDS (0.62) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL15277177 0.98 HPGDS (0.62) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL753302 0.96 CYP3A4 (0.60) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL11910995 0.96 CYP3A4 (0.60) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL2706110 0.95 CYP3A4 (0.58) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL19789918 0.94 CYP3A4 (0.58) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL12158444 0.93 PRCP (0.60) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL13223842 0.92 PRCP (0.55) PRCPHPGDSCYP3A4CYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932326-B2 Potent and selective inhibitors of hepatitis C virus Cocrystal Pharma, LLC (US) 2018-04-03 US disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN 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-20140350016-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS EMORY UNIVERSITY 2014-11-27 US disclosed
US-8859595-B2 Potent and selective inhibitors of hepatitis C virus RFS PHARMA, LLC (US) 2014-10-14 US disclosed
US-20130210774-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS EMORY UNIVERSITY (US) 2013-08-15 US disclosed
EP-2616461-A2 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS RFS Pharma, LLC. (US) 2013-07-24 EP disclosed
WO-2012027712-A2 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS RFS PHARMA, LLC (US) 2012-03-01 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 (3 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 PRCP 48/4885HPGDS 858/4885CYP3A4 208/4885
US-20130210774-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL PRCP 48/4885HPGDS 858/4885CYP3A4 208/4885
US-20140350016-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL PRCP 48/4885HPGDS 858/4885CYP3A4 208/4885

“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.