SCHEMBL16282931

SCHEMBL16282931

CN(C)C(=O)NC(C(=O)N1CC=CC1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)C(NC(=O)N(C)C)c5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
PRCP P42785 6/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
OPRK1 P41145 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16282905 1.00 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL17751543 1.00 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL19620015 1.00 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL1745495 0.92 KCNH2 (0.44) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL1745492 0.92 KCNH2 (0.44) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL17751544 0.91 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL19619955 0.91 KCNH2 (0.39) KCNH2PRCPCYP3A4CYP2C9PPIB
SCHEMBL16282925 0.91 KCNH2 (0.50) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL17751541 0.91 KCNH2 (0.50) KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL16282902 0.91 KCNH2 (0.50) KCNH2PRCPCYP3A4CYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153515-A1 COMPOUNDS FOR INHIBITING HEPATITIS C VIRUS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AB Pharma Ltd (CN) 2017-04-12 EP disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2016-05-19 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 US disclosed
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR AB Pharma Ltd. (CN) 2014-12-11 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 (2 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-20160136134-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 KCNH2 4178/4885PRCP 976/4885CYP3A4 809/4885
US-20140364429-A1 ANTIVIRAL COMPOUNDS HIGHLY EFFECTIVE AS HCV-NS5A INHIBITOR MAVS, HAVCR2, EIF2AK2 KCNH2 4178/4885PRCP 976/4885CYP3A4 809/4885

“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.