SCHEMBL13096065

SCHEMBL13096065

COC(=O)Cn1c(-c2ccc(Cl)cc2)c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
SCN9A Q15858 4/20 0.38
TACR1 P25103 1/20 0.38
USP14 P54578 1/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PTGS2 P35354 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
SCHEMBL5440646 0.85 USP14 (0.44) CYP3A4CYP2C19SCN9AUSP14PTGDR2
SCHEMBL2905366 0.84 MAPT (0.41) CYP3A4CYP2C19SCN9A
SCHEMBL10293512 0.84 SCN9A (0.34) CYP3A4CYP2C19SCN9AUSP14PTGDR
SCHEMBL394368 0.84 CNR2 (0.39) CYP3A4CYP2C19SCN9A
SCHEMBL10293456 0.84 ALDH1A1 (0.41) CYP3A4CYP2C19SCN9A
SCHEMBL3098417 0.84 ALDH1A1 (0.37) CYP3A4CYP2C19SCN9A
SCHEMBL1173457 0.80 SCN9A (0.51) CYP3A4CYP2C19SCN9A
SCHEMBL3073403 0.79 USP14 (0.39) CYP3A4CYP2C19SCN9AUSP14PTGDR
SCHEMBL10293481 0.78 SCN9A (0.54) CYP3A4CYP2C19SCN9A
SCHEMBL10082696 0.78 SCN9A (0.37) CYP3A4SCN9A

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 CYP3A4 84/4885CYP2C19 166/4885SCN9A 3800/4885
US-20100273792-A1 MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, IDO2 CYP3A4 84/4885CYP2C19 166/4885SCN9A 3800/4885

“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.