SCHEMBL3083577

SCHEMBL3083577

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
NR1I2 O75469 6/20 0.45
CYP3A4 P08684 3/20 0.45
SCN5A Q14524 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 2/20 0.39
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL895975 0.93 PRKCA (0.49) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3084480 0.91 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3083720 0.91 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3087256 0.90 PRKCA (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3093091 0.87 KCNH2 (0.44) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3087641 0.85 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3088693 0.84 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL4152682 0.83 PRKCA (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL4149639 0.83 PRKCA (0.39) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3086143 0.82 PRKCA (0.50) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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 4 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
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP 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
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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 (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.