SCHEMBL3080189

SCHEMBL3080189

CN(C)CCN(C)[C@H]1COc2cc(F)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.82
MMP12 P39900 1/20 0.82
NR1I2 O75469 10/20 0.40
KCNH2 Q12809 4/20 0.33
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL3080161 1.00 PRKCA (0.82) PRKCAMMP12NR1I2KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL3088447 0.97 PRKCA (0.78) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3097986 0.92 PRKCA (0.69) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL3093143 0.91 PRKCA (0.82) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL3073622 0.90 PRKCA (1.00) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL29399714 0.90 PRKCA (1.00) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL31554854 0.90 PRKCA (1.00) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL3088843 0.90 PRKCA (1.00) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL3085872 0.88 PRKCA (0.92) PRKCAMMP12NR1I2KCNH2CYP3A4
Mk-3281 SCHEMBL3092945 0.88 PRKCA (0.92) PRKCAMMP12NR1I2KCNH2CYP3A4

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 3 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 claimed
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.