SCHEMBL204402

SCHEMBL204402

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP30 Q70CQ3 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
UCHL1 P09936 2/20 0.49
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN3A Q9NY46 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL12547915 1.00 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL571211 1.00 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL3448502 0.97 NPC1 (0.54) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL3448500 0.97 NPC1 (0.54) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL11910976 0.91 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL14845515 0.91 NPC1 (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL883239 0.90 NPC1 (0.59) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL19789881 0.90 LMNA (0.60) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL883143 0.89 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL9611582 0.89 NPC1 (0.58) NPC1ALDH1A1SMN1; SMN2LMNANPSR1

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-2507232-B1 PROLINE DERIVATIVES NATIONAL HEALTH RES INST (TW) 2019-03-20 EP disclosed
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3042901-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB HOLDINGS IRELAND (CH) 2018-01-24 EP disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
EP-2245027-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-11-03 EP 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
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
EP-2146984-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-01-27 EP disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885

“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.