SCHEMBL10201512

SCHEMBL10201512

Nc1ccc(-c2ccc3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
PRCP P42785 7/20 0.50
HCRTR1 O43613 8/20 0.48
HCRTR2 O43614 8/20 0.48

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
SCHEMBL9605087 0.95 USP30 (0.59) USP30PRCPHCRTR1HCRTR2
SCHEMBL12798598 0.90 USP30 (0.53) USP30PRCPHCRTR1HCRTR2
SCHEMBL17192927 0.90 USP30 (0.53) USP30PRCPHCRTR1HCRTR2
SCHEMBL12406262 0.88 PRCP (0.47) USP30PRCPHCRTR1HCRTR2
SCHEMBL3209122 0.87 USP30 (0.51) USP30PRCPHCRTR1HCRTR2
SCHEMBL3226034 0.87 USP30 (0.51) USP30PRCPHCRTR1HCRTR2
SCHEMBL9605036 0.87 PRCP (0.53) USP30PRCPHCRTR1HCRTR2
SCHEMBL2778341 0.86 PRCP (0.54) USP30PRCPHCRTR1HCRTR2
SCHEMBL12404467 0.85 HCRTR1 (0.57) USP30PRCPHCRTR1HCRTR2
SCHEMBL9605121 0.85 USP30 (0.49) USP30PRCPHCRTR1HCRTR2

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
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
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (2 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PRCP 190/4885HCRTR1 4453/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PRCP 190/4885HCRTR1 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.