SCHEMBL3083763

SCHEMBL3083763

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CNCCN3CCOCC3)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASR P41180 2/20 0.35
EIF2AK2 P19525 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3085253 0.91 SCN9A (0.40) NR1I2SCN9AALDH1A1L3MBTL1ATM
SCHEMBL3084086 0.87 PRKCA (0.41) NR1I2SCN9AALDH1A1ATMCYP2D6
SCHEMBL3095427 0.81 PRKCA (0.38) NR1I2SCN9AALDH1A1ATMCYP2D6
SCHEMBL5307726 0.81 PRKCA (0.48) NR1I2SCN9ACYP2D6
SCHEMBL4825604 0.81 PRKCA (0.38) NR1I2SCN9AALDH1A1ATMCYP2D6
SCHEMBL3084839 0.79 PTPRC (0.35) NR1I2SCN9AALDH1A1ATMCYP2D6
SCHEMBL394368 0.79 CNR2 (0.39) SCN9AALDH1A1L3MBTL1CYP2D6NPSR1
SCHEMBL923678 0.79 PRKCA (0.36) NR1I2SCN9AALDH1A1ATMCYP2D6
SCHEMBL3083490 0.77 PRKCA (0.45) NR1I2SCN9AALDH1A1NPSR1CNR2
SCHEMBL3085834 0.77 PRKCA (0.36) SCN9AALDH1A1CYP2D6NPSR1KDM4E

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 NR1I2 144/4885SCN9A 3788/4885ALDH1A1 634/4885

“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.