SCHEMBL1357196

SCHEMBL1357196

CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc(Br)cc3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.56
HCRTR2 O43614 18/20 0.56
USP30 Q70CQ3 1/20 0.48
CHEK2 O96017 1/20 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
SCHEMBL1357197 1.00 HCRTR1 (0.56) HCRTR1HCRTR2USP30CHEK2
SCHEMBL13070464 0.95 USP30 (0.52) HCRTR1HCRTR2USP30CHEK2
SCHEMBL2707200 0.95 USP30 (0.52) HCRTR1HCRTR2USP30CHEK2
SCHEMBL18462768 0.95 USP30 (0.52) HCRTR1HCRTR2USP30CHEK2
SCHEMBL2706118 0.95 USP30 (0.52) HCRTR1HCRTR2USP30CHEK2
SCHEMBL14985689 0.94 HCRTR1 (0.51) HCRTR1HCRTR2USP30CHEK2
SCHEMBL2707183 0.94 HCRTR1 (0.51) HCRTR1HCRTR2USP30CHEK2
SCHEMBL204876 0.94 HCRTR1 (0.51) HCRTR1HCRTR2USP30CHEK2
SCHEMBL12075567 0.94 HCRTR1 (0.54) HCRTR1HCRTR2CHEK2
SCHEMBL204028 0.92 HCRTR1 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 US disclosed
US-8618153-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
US-20130012540-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-10 US disclosed
EP-2499132-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO 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 (3 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-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HCRTR1 4555/4885HCRTR2 4665/4885USP30 1786/4885
US-20130012540-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HCRTR1 4555/4885HCRTR2 4665/4885USP30 1786/4885
US-20140018389-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HCRTR1 4555/4885HCRTR2 4665/4885USP30 1786/4885

“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.