SCHEMBL10144282

SCHEMBL10144282

O=C(N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)c1ccccc1)C1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
OPRK1 P41145 1/20 0.53
PRCP P42785 10/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46

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
SCHEMBL20016932 1.00 KCNH2 (0.53) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1745494 0.99 KCNH2 (0.54) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL13560609 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1747446 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15477554 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2583772 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1745820 0.97 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3343906 0.91 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL3345796 0.91 KCNH2 (0.52) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1747286 0.91 KCNH2 (0.47) KCNH2CYP3A4CYP2C9NR1I2ABCB11

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

“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.