SCHEMBL3587050

SCHEMBL3587050

CN(C)CCN1CCN2Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.57
MMP12 P39900 1/20 0.57
NR1I2 O75469 6/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 3/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 1/20 0.34
BCHE P06276 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL3085990 0.89 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL896350 0.88 PRKCA (0.58) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL896122 0.87 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3596834 0.86 PRKCA (0.58) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895175 0.81 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895292 0.81 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895643 0.80 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3087256 0.80 PRKCA (0.48) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3577416 0.79 PRKCA (0.75) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3579355 0.78 PRKCA (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US claimed
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 2745/4885MMP12 3050/4885NR1I2 79/4885

“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.