SCHEMBL1359664

SCHEMBL1359664

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C#Cc2ccc(C#Cc3c[nH]c([C@@H]4CCCN4C(=O)[C@@H](NC(=O)O)C(C)C)n3)cc2)c[nH]1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
CYP2C9 P11712 5/20 0.55
NR1I2 O75469 2/20 0.54
ABCB11 O95342 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL1359672 1.00 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15447800 0.97 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12234456 0.95 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL20484245 0.95 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12234455 0.95 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1359250 0.94 CYP3A4 (0.57) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1359255 0.94 CYP3A4 (0.57) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14482578 0.93 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14482560 0.93 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15448419 0.92 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP claimed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 US claimed
US-20130012540-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-10 US claimed
EP-2499132-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP claimed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 US disclosed
US-8618153-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
US-20130012540-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-10 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 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-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP3A4 3600/4885CYP2C9 4154/4885NR1I2 693/4885
US-20130012540-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP3A4 3600/4885CYP2C9 4154/4885NR1I2 693/4885
US-20140018389-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP3A4 3600/4885CYP2C9 4154/4885NR1I2 693/4885

“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.