SCHEMBL2907936

SCHEMBL2907936

CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.44
KCNH2 Q12809 10/20 0.44
HTR2C P28335 8/20 0.44
DRD2 P14416 5/20 0.43
PARP1 P09874 1/20 0.41
KIF11 P52732 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
CNR1 P21554 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GABRA5 P31644 1/20 0.38
GABRA6 Q16445 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
SCHEMBL1173665 0.88 KIF11 (0.55) HTR2AKCNH2HTR2CDRD2PARP1
SCHEMBL19316391 0.86 GABRA1 (0.44) PARP1KIF11GABRA1GABRG2GABRB3
SCHEMBL5198654 0.85 PARP1 (0.52) HTR2AKCNH2HTR2CDRD2PARP1
SCHEMBL10293516 0.85 GABRA1 (0.43) PARP1KIF11GABRA1GABRG2GABRB3
SCHEMBL13841694 0.84 PARP1 (0.38) PARP1KIF11GABRA1GABRG2GABRB3
SCHEMBL1173816 0.84 PARP1 (0.52) HTR2AKCNH2HTR2CDRD2PARP1
SCHEMBL54140 0.83 GABRA1 (0.43) PARP1KIF11GABRA1GABRG2GABRB3
SCHEMBL4821761 0.82 PARP1 (0.47) PARP1KIF11CNR1
SCHEMBL11961347 0.81 GABRA1 (0.41) PARP1KIF11GABRA1GABRG2GABRB3
SCHEMBL14367212 0.80 DVL1 (0.36) HTR2AKCNH2HTR2CDRD2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 HTR2A 239/4885KCNH2 2214/4885HTR2C 294/4885

“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.