SCHEMBL393462

SCHEMBL393462

CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
GBA1 P04062 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
SCN9A Q15858 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
FABP4 P15090 1/20 0.33
USP30 Q70CQ3 1/20 0.32
NR1I2 O75469 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL393583 0.93 PRKCA (0.39) PRKCAMMP12HTR2CSLC6A4GBA1
SCHEMBL14110707 0.87 HTR2C (0.36) PRKCAMMP12HTR2CSLC6A4GBA1
SCHEMBL2907228 0.84 PRKCA (0.50) PRKCAMMP12CYP2D6SCN9AFABP4
SCHEMBL5402256 0.84 PRKCA (0.47) PRKCAMMP12FABP4
SCHEMBL394672 0.83 PRKCA (0.34) PRKCAMMP12HTR2CSLC6A4CYP3A4
SCHEMBL5448428 0.81 PRKCA (0.47) PRKCAMMP12
SCHEMBL14448759 0.81 PRKCA (0.47) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL5783672 0.80 PRKCA (0.46) PRKCAMMP12SCN9AFABP4NR1I2
SCHEMBL5435258 0.79 PRKCA (0.43) PRKCAMMP12SCN9AFABP4NR1I2
SCHEMBL5439760 0.79 PRKCA (0.42) PRKCAMMP12CYP3A4CYP2C19CYP2D6

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
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7781422-B2 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
US-20080153895-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (2 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRKCA 4625/4885MMP12 2333/4885HTR2C 764/4885
US-20080153895-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 PRKCA 4589/4885MMP12 2570/4885HTR2C 694/4885

“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.