SCHEMBL3580766

SCHEMBL3580766

CN1CC(N(C)C)Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.60
MMP12 P39900 1/20 0.60
NR1I2 O75469 8/20 0.41
SCN9A Q15858 3/20 0.37
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 3/20 0.36
SCN5A Q14524 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CCKBR P32239 3/20 0.35
CYP2D6 P10635 1/20 0.35
KMO O15229 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
SCHEMBL3576914 0.90 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL804071 0.85 PRKCA (0.53) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3571775 0.85 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL390100 0.83 PRKCA (0.55) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3098287 0.83 PRKCA (0.81) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12427586 0.81 PRKCA (0.52) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL2961947 0.80 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL4822919 0.80 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL804591 0.80 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL804300 0.79 PRKCA (0.59) PRKCAMMP12NR1I2SCN9AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US claimed
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US claimed
US-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US disclosed
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US disclosed
EP-1807397-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2006046039-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-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, HAVCR2 PRKCA 4232/4885MMP12 2495/4885NR1I2 164/4885

“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.