SCHEMBL1316032

SCHEMBL1316032

CN1CCC(c2nc(-c3ccc(-c4ccc5cc(-c6c[nH]c(C7CCN(C)N7C(=O)OC(C)(C)C)n6)ccc5c4)cc3)c[nH]2)N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
WNT1 P04628 1/20 0.37
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1316028 1.00 HTT (0.38) HTTGSK3BDYRK1AWNT1HPGD
SCHEMBL1315622 0.91 HPGDS (0.41) GSK3BDYRK1AWNT1
SCHEMBL1315617 0.91 HPGDS (0.41) GSK3BDYRK1AWNT1
SCHEMBL1316016 0.88 HPGDS (0.41) GSK3BDYRK1AWNT1GPR119
SCHEMBL1316017 0.88 HPGDS (0.41) GSK3BDYRK1AWNT1GPR119
SCHEMBL1316015 0.88 HPGDS (0.41) GSK3BDYRK1AWNT1GPR119
SCHEMBL14924576 0.82 ALDH1A1 (0.41) HTTKDM4EALDH1A1MEN1TSHR
SCHEMBL16904938 0.82 ALDH1A1 (0.41) HTTKDM4EALDH1A1MEN1TSHR
SCHEMBL1293565 0.80 HTT (0.36) HTTGSK3BDYRK1AWNT1HPGD
SCHEMBL1293711 0.79 HTT (0.38) HTTGSK3BDYRK1AWNT1HPGD

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-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
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 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 (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 HTT 4547/4885GSK3B 619/4885DYRK1A 4828/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTT 4592/4885GSK3B 519/4885DYRK1A 4829/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTT 4592/4885GSK3B 519/4885DYRK1A 4829/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTT 4592/4885GSK3B 519/4885DYRK1A 4829/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTT 4592/4885GSK3B 519/4885DYRK1A 4829/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HTT 4592/4885GSK3B 519/4885DYRK1A 4829/4885

“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.