SCHEMBL2995117

SCHEMBL2995117

CC(C)N1CCC(N(C)C(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3sc(C(=O)O)cc32)C1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
SCN9A Q15858 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MCHR1 Q99705 1/20 0.32
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5231280 0.89 HRH3 (0.32) HRH3SCN9ATLR9TLR8TLR7
SCHEMBL2988690 0.88 MCHR1 (0.41) HRH3TLR9TLR8TLR7MCHR1
SCHEMBL2995119 0.87 HRH3 (0.38) HRH3MCHR1KCNH2
SCHEMBL2994234 0.85 SCN9A (0.38) SCN9AKCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5233014 0.79 SCN9A (0.40) SCN9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5231883 0.78 MCHR1 (0.40) HRH3TLR9TLR8TLR7MCHR1
SCHEMBL2989195 0.76 CNR1 (0.38) MCHR1KMT2A
SCHEMBL2988692 0.75 MCHR1 (0.42) HRH3MCHR1KCNH2
SCHEMBL2997714 0.74 MAPT (0.38) KCNH2CYP2D6
SCHEMBL5231760 0.74 SCN9A (0.37) SCN9AKCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT HRH3 1724/4885SCN9A 3612/4885TLR9 997/4885

“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.