SCHEMBL2282367

SCHEMBL2282367

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3cnc(-c4cccc(NC(=O)[C@@H]5CCCN5C(=O)[C@H](NC(=O)O)c5ccccc5)c4C)o3)ccc2[nH]1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 6/20 0.45
CYP2C9 P11712 6/20 0.45
CYP2C19 P33261 5/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 2/20 0.45
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
NR1I2 O75469 1/20 0.38
PRCP P42785 2/20 0.37

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
SCHEMBL12374117 0.94 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3047872 0.94 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2276767 0.91 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2278820 0.91 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2281370 0.90 KCNH2 (0.52) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12406276 0.90 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16927244 0.89 KCNH2 (0.41) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3045654 0.88 HCRTR1 (0.40) KCNH2HCRTR1HCRTR2PRCP
SCHEMBL12404478 0.88 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12799033 0.87 KCNH2 (0.42) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US claimed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP claimed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885CYP2C9 2585/4885

“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.