SCHEMBL889338

SCHEMBL889338

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.41
KCNK9 Q9NPC2 5/20 0.41
PREP P48147 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KAT2B Q92831 1/20 0.35
HSD11B1 P28845 1/20 0.35
JAK1 P23458 2/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
HTT P42858 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL18426928 1.00 KCNK3 (0.41) KCNK3KCNK9PREPCHRM2CHRM1
SCHEMBL16062559 1.00 KCNK3 (0.41) KCNK3KCNK9PREPCHRM2CHRM1
SCHEMBL17066303 0.94 PREP (0.42) KCNK3KCNK9PREPCHRM2CHRM1
SCHEMBL12436385 0.94 PREP (0.42) KCNK3KCNK9PREPCHRM2CHRM1
SCHEMBL16062569 0.91 PREP (0.40) KCNK3KCNK9PREPCHRM2CHRM1
SCHEMBL12436556 0.90 PREP (0.41) PREPCHRM2CHRM1CHRM3KAT2B
SCHEMBL12436928 0.90 PREP (0.41) PREPCHRM2CHRM1CHRM3KAT2B
SCHEMBL12436927 0.88 PREP (0.41) PREPCHRM2CHRM1CHRM3KAT2B
SCHEMBL16020769 0.85 PREP (0.37) PREPCHRM2CHRM1CHRM3KAT2B
SCHEMBL16020770 0.85 PREP (0.37) PREPCHRM2CHRM1CHRM3KAT2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850072-B1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-08-31 EP disclosed
US-9365549-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-14 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150252023-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-10 US disclosed
US-9066944-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-30 US disclosed
US-20130287731-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-31 US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (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-20130287731-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HCCS KCNK3 4296/4885KCNK9 4620/4885PREP 1030/4885
US-20150252023-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HCCS KCNK3 4296/4885KCNK9 4620/4885PREP 1030/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KCNK3 4258/4885KCNK9 4648/4885PREP 519/4885

“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.