SCHEMBL3085834

SCHEMBL3085834

COC(=O)c1ccc2c(C3CCCCC3)c(-c3occc3CNCCN(C)C)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
SCN9A Q15858 4/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2D6 P10635 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31

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
SCHEMBL3084086 0.88 PRKCA (0.41) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL3086384 0.85 SCN9A (0.36) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL3098792 0.84 PRKCA (0.36) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL5307726 0.81 PRKCA (0.48) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL3093138 0.79 PRKCA (0.37) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL1173457 0.78 SCN9A (0.51) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL3083490 0.78 PRKCA (0.45) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL14277669 0.78 PRKCA (0.30) PRKCAMMP12
SCHEMBL394368 0.78 CNR2 (0.39) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL391724 0.77 ALDH1A1 (0.41) SCN9ACYP3A4CYP2C9CYP2C19ALDH1A1

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 PRKCA 3874/4885MMP12 3319/4885SCN9A 3788/4885

“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.