SCHEMBL1745492

SCHEMBL1745492

CN(C)C(=O)NC(C(=O)N1CCCC1c1nc(-c2ccc(-c3ccc(-c4c[nH]c(C5CCCN5C(=O)C(NC(=O)N(C)C)c5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
CYP3A4 P08684 4/20 0.42
PRCP P42785 6/20 0.41
CYP2C9 P11712 3/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL1745495 1.00 KCNH2 (0.44) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL18727562 0.95 KCNH2 (0.40) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL16282779 0.95 KCNH2 (0.40) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL18727563 0.95 KCNH2 (0.40) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL19620015 0.92 KCNH2 (0.39) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL16282931 0.92 KCNH2 (0.39) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL16282905 0.92 KCNH2 (0.39) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL17751543 0.92 KCNH2 (0.39) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL1747538 0.91 KCNH2 (0.39) KCNH2CYP3A4PRCPCYP2C9PPIB
SCHEMBL16223451 0.91 KCNH2 (0.45) KCNH2CYP3A4PRCPCYP2C9PPIB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US claimed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 US claimed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US claimed
EP-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885PRCP 190/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885PRCP 190/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885CYP3A4 1107/4885PRCP 190/4885

“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.