SCHEMBL3085384

SCHEMBL3085384

CNCc1cc(OC)ccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC)cc2n1CC1OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
NR1I2 O75469 5/20 0.39
CYP3A4 P08684 4/20 0.38
SCN5A Q14524 2/20 0.38
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4206783 0.89 PRKCA (0.40) NR1I2CYP3A4CNR2CNR1SCN9A
SCHEMBL3073346 0.89 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3088667 0.87 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3092482 0.83 PRKCA (0.40) NR1I2CYP3A4CNR2CNR1SCN9A
SCHEMBL3079983 0.80 ALDH1A1 (0.42) CYP3A4CNR2CNR1SCN9ACYP2C9
SCHEMBL2279301 0.80 KCNH2 (0.40) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL3586074 0.80 KCNH2 (0.40) KCNH2NR1I2CYP3A4SCN5ACNR2
SCHEMBL4209432 0.79 PRKCA (0.41) NR1I2CYP3A4CNR2CNR1SCN9A
SCHEMBL3086956 0.77 PRKCA (0.40) NR1I2CYP3A4CNR2CNR1SCN9A
SCHEMBL3086958 0.77 PRKCA (0.40) NR1I2CYP3A4CNR2CNR1SCN9A

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
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-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-06-11 US disclosed
EP-1926733-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-06-04 EP disclosed
EP-1807403-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-2007029029-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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
WO-2006046030-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 (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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 KCNH2 1341/4885NR1I2 144/4885CYP3A4 189/4885
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, ZC3HAV1, ZC3HAV1L KCNH2 1777/4885NR1I2 142/4885CYP3A4 234/4885

“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.