SCHEMBL3569189

SCHEMBL3569189

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCN(C)c1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.45
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 3/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 5/20 0.37
CYP3A4 P08684 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL3571775 0.89 PRKCA (0.52) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL3576914 0.85 PRKCA (0.49) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL771196 0.85 SCN9A (0.49) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL804071 0.84 PRKCA (0.53) SCN9APRKCAMMP12NR1I2CYP3A4
SCHEMBL14572856 0.84 PRKCA (0.44) SCN9APRKCAMMP12NR1I2CNR2
SCHEMBL772587 0.83 SCN9A (0.47) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL4200779 0.83 PRKCA (0.49) SCN9APRKCAMMP12NR1I2CNR2
SCHEMBL3084872 0.83 SCN9A (0.45) SCN9APRKCAMMP12NR1I2CNR2
SCHEMBL393529 0.83 PRKCA (0.44) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL4825597 0.82 HDAC1 (0.47) SCN9APRKCAMMP12NR1I2CNR2

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-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

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 SCN9A 3739/4885PRKCA 4232/4885MMP12 2495/4885

“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.