SCHEMBL1315622

SCHEMBL1315622

CN1CCC(c2ncc(-c3ccc(-c4ccc5cc(-c6c[nH]c(C7CCN(C)N7C(=O)OC(C)(C)C)n6)ccc5c4)cc3)[nH]2)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.41
PRCP P42785 10/20 0.39
SSTR3 P32745 1/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
NR1I2 O75469 2/20 0.37
ABCB11 O95342 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1315617 1.00 HPGDS (0.41) HPGDSPRCPSSTR3CYP3A4CYP2C9
SCHEMBL1316015 0.98 HPGDS (0.41) HPGDSPRCPSSTR3CYP3A4CYP2C9
SCHEMBL1316016 0.98 HPGDS (0.41) HPGDSPRCPSSTR3CYP3A4CYP2C9
SCHEMBL1316017 0.98 HPGDS (0.41) HPGDSPRCPSSTR3CYP3A4CYP2C9
SCHEMBL1316032 0.91 HTT (0.38) WNT1GSK3BDYRK1A
SCHEMBL1316028 0.91 HTT (0.38) WNT1GSK3BDYRK1A
SCHEMBL825074 0.85 HPGDS (0.50) HPGDSPRCPSSTR3CYP3A4CYP2C9
SCHEMBL1294440 0.85 PRCP (0.47) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL1294441 0.85 PRCP (0.47) HPGDSPRCPCYP3A4CYP2C9NR1I2
SCHEMBL17655029 0.84 CYP3A4 (0.49) HPGDSPRCPCYP3A4CYP2C9NR1I2

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 11 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
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-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
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US 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 (6 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 HPGDS 679/4885PRCP 220/4885SSTR3 4714/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885SSTR3 4672/4885

“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.