SCHEMBL13096091

SCHEMBL13096091

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.37
SCN9A Q15858 4/20 0.37
KCNH2 Q12809 5/20 0.37
CYP3A4 P08684 3/20 0.36
SCN5A Q14524 2/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10293499 0.99 NR1I2 (0.37) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL10293502 0.94 PRKCA (0.38) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13096106 0.94 PRKCA (0.37) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13096096 0.88 SCN9A (0.35) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL15233632 0.88 NR1I2 (0.34) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13096090 0.87 MAPT (0.39) NR1I2SCN9AKCNH2CYP3A4MAPT
SCHEMBL10293517 0.87 NR1I2 (0.37) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL10293526 0.87 MAPT (0.39) SCN9AKCNH2CYP3A4MAPTCYP2C9
SCHEMBL13768486 0.86 NR1I2 (0.34) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL13096087 0.86 MAPT (0.34) NR1I2SCN9AKCNH2CYP3A4SCN5A

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-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
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
WO-2009080836-A2 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-07-02 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 (2 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 NR1I2 345/4885SCN9A 3800/4885KCNH2 2137/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 NR1I2 345/4885SCN9A 3800/4885KCNH2 2137/4885

“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.