SCHEMBL12405124

SCHEMBL12405124

COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2cnc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc4c3)o2)ccc1C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRCP P42785 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL15893407 0.96 KCNH2 (0.46) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12406276 0.95 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2278820 0.94 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2276767 0.94 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12405126 0.92 KCNH2 (0.47) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3055605 0.91 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3054614 0.91 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12404476 0.91 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12374131 0.90 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10200301 0.89 LMNA (0.53) CYP3A4CYP2C19CYP1A2LMNANPSR1

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
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-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
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
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.