SCHEMBL1294441

SCHEMBL1294441

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)O)[nH]5)cc4)ccc3c2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
NR1I2 O75469 2/20 0.46
KCNH2 Q12809 2/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46
HPGDS O60760 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL1294440 1.00 PRCP (0.47) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL1294400 0.98 PRCP (0.45) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL1294401 0.98 PRCP (0.45) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL1294137 0.97 CYP3A4 (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL17655029 0.97 CYP3A4 (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL1294132 0.97 CYP3A4 (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL1294133 0.97 CYP3A4 (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL12105490 0.94 CYP3A4 (0.46) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL12116945 0.93 PRCP (0.48) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL3350952 0.91 PRCP (0.51) PRCPCYP3A4CYP2C9NR1I2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-20130317213-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-28 US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
EP-2499115-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO 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 (8 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL PRCP 220/4885CYP3A4 1005/4885CYP2C9 2691/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS PRCP 346/4885CYP3A4 1690/4885CYP2C9 3351/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS PRCP 346/4885CYP3A4 1690/4885CYP2C9 3351/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885CYP3A4 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.