SCHEMBL3077778

SCHEMBL3077778

CN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(C=CC(=O)O)cc4)CCCC3)cc21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.76
CYP2C19 P33261 15/20 0.76
CYP2C9 P11712 6/20 0.60
CYP2D6 P10635 4/20 0.60
CYP1A2 P05177 3/20 0.59
SCN9A Q15858 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3077775 1.00 CYP3A4 (0.76) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2902601 0.92 CYP3A4 (0.68) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2902599 0.92 CYP3A4 (0.68) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2906743 0.92 CYP3A4 (0.69) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2906738 0.92 CYP3A4 (0.69) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL3084430 0.91 CYP3A4 (0.75) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL3084429 0.91 CYP3A4 (0.75) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2906809 0.89 CYP3A4 (0.64) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL2906803 0.89 CYP3A4 (0.64) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL3077620 0.88 CYP3A4 (0.63) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US claimed
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US 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 (1 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 CYP3A4 95/4885CYP2C19 469/4885CYP2C9 319/4885

“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.