SCHEMBL10092397

SCHEMBL10092397

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.77
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
LMNA P02545 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
USP30 Q70CQ3 1/20 0.59
FPR3 P25089 3/20 0.58
FPR2 P25090 3/20 0.58
JAK2 O60674 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
UCHL1 P09936 1/20 0.51
PABPC1 P11940 1/20 0.51

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
SCHEMBL31188356 1.00 NPC1 (0.77) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL3833819 1.00 NPC1 (0.77) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL206295 0.97 NPC1 (0.72) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL2709482 0.97 NPC1 (0.72) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL31148235 0.96 NPC1 (0.72) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL14323243 0.91 NPC1 (0.65) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL14323244 0.91 NPC1 (0.65) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL17474788 0.90 NPC1 (0.80) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL17474759 0.90 NPC1 (0.80) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL23373363 0.89 NPC1 (0.79) NPC1KMT2AMEN1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2791161-B1 INHIBITORS OF HCV NS5A HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
US-9133170-B2 Inhibitors of HCV NS5A HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20150166514-A1 INHIBITORS OF HCV NS5A HOFFMANN-LA ROCHE INC. (US) 2015-06-18 US disclosed
US-8383094-B2 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, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383094-B2 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, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 WO disclosed
WO-2010039793-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-08 WO disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885KMT2A 4293/4885MEN1 4876/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885KMT2A 4516/4885MEN1 4867/4885
US-20150166514-A1 INHIBITORS OF HCV NS5A HAVCR2, EIF2AK2, MAVS NPC1 59/4885KMT2A 4036/4885MEN1 4874/4885

“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.