SCHEMBL393583

SCHEMBL393583

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
SCN9A Q15858 2/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP2D6 P10635 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
GBA1 P04062 1/20 0.33
MAPK8 P45983 1/20 0.33
GLA P06280 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
SCHEMBL393462 0.93 PRKCA (0.45) PRKCAMMP12HTR2CSLC6A4SCN9A
SCHEMBL394368 0.86 CNR2 (0.39) PRKCAMMP12SCN9ACNR2CYP3A4
SCHEMBL394814 0.82 SCN9A (0.43) PRKCAMMP12SCN9ACNR2CYP3A4
SCHEMBL14110707 0.82 HTR2C (0.36) PRKCAMMP12HTR2CSLC6A4GBA1
SCHEMBL394672 0.81 PRKCA (0.34) PRKCAMMP12HTR2CSLC6A4SCN9A
SCHEMBL13096087 0.81 MAPT (0.34) SCN9ACYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL13096122 0.79 SCN9A (0.42) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL2905366 0.78 MAPT (0.41) SCN9ACNR2CYP3A4CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL27768721 0.78 PRKCA (0.40) PRKCAMMP12SCN9ACYP3A4CYP2C19
SCHEMBL2907228 0.77 PRKCA (0.50) PRKCAMMP12SCN9ACYP2D6L3MBTL1

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 7 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
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 WO 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.