SCHEMBL3576170

SCHEMBL3576170

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)Nc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.46
BRD4 O60885 1/20 0.46
SCN9A Q15858 2/20 0.45
CDK1 P06493 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
MDH2 P40926 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
OPRL1 P41146 1/20 0.41
NR1I2 O75469 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL925855 0.91 CDK1 (0.46) CREBBPBRD4SCN9ACDK1CCNB2
SCHEMBL14572859 0.89 SCN9A (0.44) CREBBPBRD4SCN9AOPRL1NR1I2
SCHEMBL4825561 0.86 SCN9A (0.45) CREBBPBRD4SCN9APRKCAMMP12
SCHEMBL3577991 0.85 SCN9A (0.47) CREBBPBRD4SCN9APRKCAMMP12
SCHEMBL772587 0.85 SCN9A (0.47) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL923845 0.85 NR1I2 (0.44) CREBBPBRD4SCN9ACDK1CCNB2
SCHEMBL14253454 0.84 PRKCA (0.46) CREBBPBRD4SCN9ACDK1CCNB2
SCHEMBL771196 0.82 SCN9A (0.49) SCN9APRKCAMMP12NR1I2ALDH1A1
SCHEMBL391108 0.81 PRKCA (0.45) CREBBPBRD4SCN9APRKCAMMP12
SCHEMBL14253319 0.81 SCN9A (0.44) CREBBPBRD4SCN9ANR1I2KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US disclosed
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US disclosed
EP-1807397-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2006046039-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO 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-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, HAVCR2 CREBBP 2896/4885BRD4 462/4885SCN9A 3739/4885

“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.