SCHEMBL2780609

SCHEMBL2780609

CC(=O)N1CCC[C@H]1c1nc2ccc(C#Cc3ccc4[nH]c([C@@H]5CCCN5C(=O)Cc5ccccc5)nc4c3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.48
AADAT Q8N5Z0 1/20 0.47
HCRTR1 O43613 8/20 0.45
HCRTR2 O43614 8/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL15116926 0.96 PRCP (0.51) PRCPAADATHCRTR1HCRTR2MAPK1
SCHEMBL2777207 0.93 PRCP (0.51) PRCPAADATHCRTR1HCRTR2
SCHEMBL2780124 0.91 PRCP (0.45) PRCPAADATHCRTR1HCRTR2
SCHEMBL2779196 0.90 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2775469 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2778556 0.89 PRCP (0.45) PRCPHCRTR1HCRTR2
SCHEMBL2778558 0.89 PRCP (0.45) PRCPHCRTR1HCRTR2
SCHEMBL2777616 0.89 PRCP (0.50) PRCPAADATHCRTR1HCRTR2
SCHEMBL2777396 0.88 GCK (0.46) PRCPHCRTR1HCRTR2
SCHEMBL2779204 0.88 HCRTR1 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP claimed
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 claimed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US claimed
EP-2318376-B1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP 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-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 (1 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 190/4885AADAT 2969/4885HCRTR1 4453/4885

“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.