SCHEMBL2778680

SCHEMBL2778680

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2cc(C#Cc3ccc4nc([C@@H]5CCCN5C(=O)OCc5ccccc5)[nH]c4c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.44
HCRTR2 O43614 9/20 0.44
GRIN2B Q13224 1/20 0.44
PRCP P42785 4/20 0.44
AADAT Q8N5Z0 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL15045705 0.98 TMEM97 (0.44) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL12422848 0.98 TMEM97 (0.44) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL2778623 0.97 HCRTR1 (0.43) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL12422790 0.97 TMEM97 (0.44) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL933934 0.96 AADAT (0.46) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL2195007 0.94 AADAT (0.44) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL934345 0.94 TMEM97 (0.47) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL20054657 0.92 AADAT (0.44) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL2195890 0.91 TMEM97 (0.45) HCRTR1HCRTR2GRIN2BPRCPAADAT
SCHEMBL2195295 0.91 TMEM97 (0.46) HCRTR1HCRTR2GRIN2BPRCPAADAT

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 2 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-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US claimed

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 HCRTR1 4453/4885HCRTR2 4639/4885GRIN2B 4567/4885

“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.