SCHEMBL1293709

SCHEMBL1293709

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc5c(c4)CCc4nc(C6CCCN6C(=O)O)[nH]c4-5)ccc3c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.43
HPGDS O60760 3/20 0.41
NR1I2 O75469 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38

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
SCHEMBL1293708 1.00 PRCP (0.43) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293957 0.97 PRCP (0.43) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293960 0.97 PRCP (0.43) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL1293959 0.97 PRCP (0.43) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL18829066 0.90 PRCP (0.46) PRCPHPGDS
SCHEMBL14705002 0.88 HPGDS (0.45) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL6126307 0.87 CYP3A4 (0.61) NR1I2CYP3A4CYP2C9ABCB11OPRK1
SCHEMBL17323229 0.87 CYP3A4 (0.61) NR1I2CYP3A4CYP2C9ABCB11OPRK1
SCHEMBL21854637 0.87 CYP3A4 (0.61) NR1I2CYP3A4CYP2C9ABCB11OPRK1
SCHEMBL6126667 0.87 CYP3A4 (0.61) NR1I2CYP3A4CYP2C9ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 220/4885HPGDS 679/4885NR1I2 1317/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS PRCP 346/4885HPGDS 1862/4885NR1I2 1716/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885NR1I2 1341/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885NR1I2 1341/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS PRCP 346/4885HPGDS 1862/4885NR1I2 1716/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885NR1I2 1341/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885NR1I2 1341/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HPGDS 582/4885NR1I2 1341/4885

“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.