SCHEMBL2901517

SCHEMBL2901517

CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ADRA1D P25100 2/20 0.38
APP P05067 3/20 0.37
SLC6A4 P31645 3/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
DRD2 P14416 1/20 0.37
HSD11B1 P28845 2/20 0.36

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
SCHEMBL1227238 0.89 IMPDH2 (0.39) ALDH1A1NPC1KDM4EBRD4POLB
SCHEMBL51234 0.86 NPC1 (0.53) ALDH1A1NPC1KDM4EBRD4POLB
SCHEMBL1173868 0.85 NPC1 (0.54) ALDH1A1NPC1KDM4EBRD4POLB
SCHEMBL1173806 0.81 KMO (0.47) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL1173489 0.79 KMO (0.44) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL19316391 0.78 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13965798 0.78 ADRA1D (0.43) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL11961347 0.77 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10293516 0.77 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL54140 0.77 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2

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 10 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-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 EP disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US 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
CN-1964944-A Indole derivatives as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2007-05-16 CN disclosed
EP-1758857-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-03-07 EP 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
WO-2006029912-A1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-03-23 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 GABRA1 3682/4885GABRG2 4432/4885GABRB3 3773/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 GABRA1 3188/4885GABRG2 3994/4885GABRB3 3775/4885

“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.