SCHEMBL2905366

SCHEMBL2905366

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SCN9A Q15858 4/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CTSL P07711 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL394368 0.91 CNR2 (0.39) SCN9AALDH1A1KDM4ELMNAHPGD
SCHEMBL2906906 0.88 MAPT (0.45) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL1173457 0.86 SCN9A (0.51) SCN9AALDH1A1KDM4ELMNAHPGD
SCHEMBL13096065 0.84 CYP3A4 (0.39) SCN9ACYP3A4CYP2C19
SCHEMBL10293456 0.84 ALDH1A1 (0.41) SCN9AALDH1A1KDM4ELMNAHPGD
SCHEMBL391724 0.84 ALDH1A1 (0.41) SCN9AALDH1A1KDM4ELMNAHPGD
SCHEMBL4825604 0.83 PRKCA (0.38) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL13096087 0.83 MAPT (0.34) MAPTSCN9AALDH1A1KDM4ELMNA
SCHEMBL10082696 0.83 SCN9A (0.37) MAPTSCN9AALDH1A1CYP3A4CTSL
SCHEMBL14277672 0.82 ALDH1A1 (0.39) SCN9AALDH1A1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
US-9334282-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-05-10 US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 US disclosed
US-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2013-10-10 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
US-8524716-B2 Macrocyclic indoles as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2013-09-03 US disclosed
EP-2238142-B1 Macrocyclic indoles as hepatitis c virus inhibitors JANSSEN R & D IRELAND (IE) 2012-07-04 EP disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 US disclosed
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. 2010-10-28 US disclosed
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 EP disclosed
WO-2009080836-A2 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-07-02 WO disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1758857-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-03-07 EP disclosed
WO-2006029912-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-03-23 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 (4 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-20130267511-A1 Macrocyclic Indoles as Hepatitis C Virus Inhibitors IDO1, HCCS, IDO2 MAPT 2712/4885SCN9A 3800/4885ALDH1A1 802/4885
US-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 MAPT 3543/4885SCN9A 4172/4885ALDH1A1 160/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT MAPT 4411/4885SCN9A 2221/4885ALDH1A1 119/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 MAPT 2712/4885SCN9A 3800/4885ALDH1A1 802/4885

“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.