SCHEMBL3090823

SCHEMBL3090823

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N(C)CCN1CCCC1)COc1ccccc1-3

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.70
MMP12 P39900 1/20 0.70
NR1I2 O75469 5/20 0.39
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN9A Q15858 3/20 0.36
KCNH2 Q12809 4/20 0.35
SCN5A Q14524 2/20 0.35
CCR5 P51681 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
OPRK1 P41145 2/20 0.34
USP14 P54578 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL2274521 0.92 PRKCA (0.65) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279940 0.91 PRKCA (0.74) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3095894 0.91 PRKCA (0.84) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393698 0.90 PRKCA (0.73) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL396059 0.90 PRKCA (0.72) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393584 0.89 PRKCA (0.71) PRKCAMMP12NR1I2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3085041 0.88 PRKCA (0.77) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL391577 0.88 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2274406 0.88 PRKCA (0.60) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3085631 0.87 PRKCA (0.80) PRKCAMMP12NR1I2CYP3A4CYP2C9

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 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885

“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.