SCHEMBL3833819

SCHEMBL3833819

CC(C)(C)OC(=O)N1CCCC1C(=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
SCHEMBL10092397 1.00 NPC1 (0.77) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL2709482 0.97 NPC1 (0.72) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL206295 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437113-B Thiazolopyridine cyclotriazole compound, and preparation method and application thereof 西安交通大学 2023-05-02 — — CN disclosed
CN-114437113-A Thiazolopyridine ring-linked triazole compound and preparation method and application thereof 西安交通大学 2022-05-06 — — CN 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
EP-2791161-A1 INHIBITORS OF HCV NS5A F.HOFFMANN-LA ROCHE AG (CH) 2014-10-22 — — EP disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 — — US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 — — US disclosed
WO-2013087743-A1 INHIBITORS OF HCV NS5A F. HOFFMANN-LA ROCHE AG (CH) 2013-06-20 — — WO disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 — — EP disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 — — US disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 — — EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP disclosed
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-12-01 — — US disclosed
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 — — US disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 — — EP disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 — — US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — 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 (6 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-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 NPC1 2106/4885KMT2A 4341/4885MEN1 880/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 NPC1 1830/4885KMT2A 4286/4885MEN1 726/4885
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 NPC1 2278/4885KMT2A 4412/4885MEN1 990/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI NPC1 3091/4885KMT2A 4164/4885MEN1 842/4885
US-20150166514-A1 INHIBITORS OF HCV NS5A HAVCR2, EIF2AK2, MAVS NPC1 59/4885KMT2A 4036/4885MEN1 4874/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885KMT2A 2992/4885MEN1 4817/4885

“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.

Send feedback