SCHEMBL10144310

SCHEMBL10144310

COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.67
CYP2C9 P11712 6/20 0.67
KCNH2 Q12809 3/20 0.67
NR1I2 O75469 2/20 0.67
ABCB11 O95342 1/20 0.67
OPRK1 P41145 1/20 0.67
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 2/20 0.59
PRCP P42785 3/20 0.40

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
SCHEMBL10236958 0.96 CYP3A4 (0.71) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL883275 0.96 CYP3A4 (0.71) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL13635819 0.96 CYP3A4 (0.71) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19521589 0.92 CYP3A4 (0.65) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204761 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15586557 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2707003 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204522 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18463098 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2710862 0.91 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 329/4885KCNH2 4337/4885
US-20130210774-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP3A4 208/4885CYP2C9 329/4885KCNH2 4337/4885
US-20140350016-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP3A4 208/4885CYP2C9 329/4885KCNH2 4337/4885

“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.