SCHEMBL204560

SCHEMBL204560

CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.60
FPR2 P25090 1/20 0.60
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
OPRD1 P41143 1/20 0.50
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
DRD2 P14416 1/20 0.44
KDM1A O60341 1/20 0.44
UCHL1 P09936 1/20 0.44
IL1B P01584 1/20 0.44
MCHR2 Q969V1 1/20 0.43
MCHR1 Q99705 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
HCRTR1 O43613 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
SCHEMBL2706908 1.00 FPR3 (0.60) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL12771562 0.89 KDM4E (0.51) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL4664834 0.89 KDM4E (0.65) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL3042057 0.87 KDM4E (0.54) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL13947480 0.87 MMP13 (0.52) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL6223990 0.86 HCRTR1 (0.57) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL6223994 0.86 HCRTR1 (0.57) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL6223221 0.85 KDM4E (0.64) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL6223223 0.85 KDM4E (0.64) FPR3FPR2KDM4EPKMOPRD1
SCHEMBL12810104 0.84 FPR2 (0.62) FPR3FPR2OPRD1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FPR3 3772/4885FPR2 4293/4885KDM4E 2496/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FPR3 3772/4885FPR2 4293/4885KDM4E 2496/4885
US-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 FPR3 3830/4885FPR2 4253/4885KDM4E 4113/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FPR3 3772/4885FPR2 4293/4885KDM4E 2496/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FPR3 3154/4885FPR2 4049/4885KDM4E 1139/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FPR3 3772/4885FPR2 4293/4885KDM4E 2496/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FPR3 3772/4885FPR2 4293/4885KDM4E 2496/4885

“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.