SCHEMBL994824

SCHEMBL994824

CCOC(=O)C12CC1/C=C/CCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(OC(=O)c3ccc([N+](=O)[O-])cc3)CC1C(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ RASGRP3 Q8IV61 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 5/20 0.31
▸ POLB P06746 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL8239161 1.00 KCNJ1 (0.33) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL994827 1.00 KCNJ1 (0.33) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL13502753 0.91 ALDH1A1 (0.33) ADRB3ADRA2BADRA2CALDH1A1L3MBTL1
SCHEMBL2843887 0.87 POLB (0.37) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL2843889 0.87 POLB (0.37) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL8238400 0.87 POLB (0.37) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL6760115 0.87 POLB (0.37) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL14020643 0.85 POLB (0.38) KCNJ1KCNH2ADRB3ADRA2BADRA2C
SCHEMBL995274 0.85 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CALDH1A1POLB
SCHEMBL995273 0.85 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 — — US disclosed
EP-1919899-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-19 — — EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 — — US disclosed
EP-2111396-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES Tibotec Pharmaceuticals Ltd. (IE) 2009-10-28 — — EP disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 — — 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 KCNJ1 3707/4885KCNH2 3866/4885ADRB3 1970/4885
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 KCNJ1 3836/4885KCNH2 2258/4885ADRB3 2043/4885
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS KCNJ1 3852/4885KCNH2 3446/4885ADRB3 2768/4885

“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.

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