SCHEMBL3093091

SCHEMBL3093091

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CCN(C)C)Cc1cc(OC)ccc1-3

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
NR1I2 O75469 6/20 0.44
CYP3A4 P08684 3/20 0.44
SCN5A Q14524 2/20 0.44
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN9A Q15858 2/20 0.37

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
SCHEMBL894723 0.93 PRKCA (0.48) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3092990 0.91 PRKCA (0.41) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3080352 0.90 PRKCA (0.48) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3083577 0.87 KCNH2 (0.45) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3089899 0.85 PRKCA (0.41) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3095670 0.85 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3074886 0.83 PRKCA (0.46) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3095015 0.83 PRKCA (0.40) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL4144670 0.83 PRKCA (0.38) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL4144672 0.83 PRKCA (0.38) KCNH2NR1I2CYP3A4SCN5APRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 KCNH2 1341/4885NR1I2 144/4885CYP3A4 189/4885

“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.