SCHEMBL15076841

SCHEMBL15076841

OC1(c2cccc(F)c2F)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
HDAC4 P56524 1/20 0.44
DRD2 P14416 1/20 0.41
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
HTR2C P28335 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PKLR P30613 4/20 0.34
PDK2 Q15119 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 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
SCHEMBL3115682 0.90 HDAC4 (0.42) SIGMAR1HDAC4DRD2OPRM1OPRD1
SCHEMBL23231960 0.87 HDAC4 (0.50) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL615903 0.85 SIGMAR1 (0.57) SIGMAR1HDAC4DRD2OPRM1OPRD1
SCHEMBL7510607 0.84 DRD2 (0.46) SIGMAR1HDAC4DRD2OPRM1OPRD1
SCHEMBL22778198 0.83 HDAC4 (0.51) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2276508 0.83 SIGMAR1 (0.51) SIGMAR1HDAC4DRD2OPRM1OPRD1
SCHEMBL2270695 0.83 SIGMAR1 (0.47) SIGMAR1HDAC4DRD2OPRM1OPRD1
Ethyne SCHEMBL27599449 0.82 SIGMAR1 (0.54) SIGMAR1HDAC4DRD2OPRM1OPRD1
SCHEMBL1329573 0.81 HDAC4 (0.42) SIGMAR1HDAC4OPRM1OPRD1OPRK1
SCHEMBL30824567 0.81 HDAC4 (0.42) SIGMAR1HDAC4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2015-09-17 US disclosed
US-9066932-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-20150152073-A1 Hepatitis B Antiviral Agents NOVIRA THERAPEUTICS, INC. 2015-06-04 US disclosed
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2014-06-26 US disclosed
US-8629274-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2014-01-14 US disclosed
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 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 (5 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-20150152073-A1 Hepatitis B Antiviral Agents HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885HDAC4 893/4885DRD2 4531/4885
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885HDAC4 893/4885DRD2 4531/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885HDAC4 893/4885DRD2 4531/4885
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885HDAC4 893/4885DRD2 4531/4885
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885HDAC4 893/4885DRD2 4531/4885

“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.