SCHEMBL571303

SCHEMBL571303

O=C(CCl)c1ccc2nc(C3CCCN3C(=O)O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.47
HCRTR1 O43613 13/20 0.46
HCRTR2 O43614 13/20 0.46

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
SCHEMBL571792 0.86 CHEK2 (0.49) HCRTR1HCRTR2
SCHEMBL571791 0.86 CHEK2 (0.49) HCRTR1HCRTR2
SCHEMBL1293347 0.81 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL19385344 0.79 USP30 (0.66) PRCPHCRTR1HCRTR2
SCHEMBL19385343 0.79 USP30 (0.66) PRCPHCRTR1HCRTR2
SCHEMBL750105 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2512532 0.78 HTR2B (0.50) PRCPHCRTR1HCRTR2
SCHEMBL2276747 0.78 BCHE (0.41) HCRTR1HCRTR2
SCHEMBL2280366 0.76 CHEK2 (0.51) HCRTR1HCRTR2
SCHEMBL2280362 0.76 CHEK2 (0.51) HCRTR1HCRTR2

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
EP-2601188-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-12 EP disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 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 (4 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PRCP 190/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PRCP 190/4885HCRTR1 4453/4885HCRTR2 4639/4885

“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.