SCHEMBL10144308

SCHEMBL10144308

COC(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.65
CYP2C9 P11712 3/20 0.65
CYP1A2 P05177 2/20 0.65
KCNH2 Q12809 2/20 0.64
NR1I2 O75469 2/20 0.64
ABCB11 O95342 1/20 0.64
OPRK1 P41145 1/20 0.64
PRCP P42785 9/20 0.61
CYP2D6 P10635 1/20 0.58
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53

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
SCHEMBL20017029 1.00 CYP3A4 (0.65) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL19578237 0.98 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL2585035 0.94 CYP3A4 (0.69) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL2579783 0.94 CYP3A4 (0.69) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL12175262 0.94 CYP3A4 (0.69) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL12174976 0.92 CYP3A4 (0.78) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL3342098 0.92 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL3344794 0.92 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL3342080 0.92 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2KCNH2NR1I2
SCHEMBL3344766 0.92 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2KCNH2NR1I2

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 8 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
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
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 CYP3A4 208/4885CYP2C9 329/4885CYP1A2 326/4885
US-20130210774-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP3A4 208/4885CYP2C9 329/4885CYP1A2 326/4885
US-20140350016-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP3A4 208/4885CYP2C9 329/4885CYP1A2 326/4885

“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.