SCHEMBL3000873

SCHEMBL3000873

CN1CCCC(CN(C)C(=O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3sc(C(=O)OC(=O)C(F)(F)F)cc32)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC2A1 P11166 1/20 0.33
GFER P55789 1/20 0.32
PKM P14618 1/20 0.32
ACKR3 P25106 1/20 0.32
P2RY12 Q9H244 1/20 0.31
TACR1 P25103 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL5231631 0.87 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GFER
SCHEMBL2998895 0.83 KMT2A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GFER
Trifluoroacetic Acid SCHEMBL3000870 0.80 SLC2A1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SLC2A1
SCHEMBL5442308 0.78 PRKCA (0.36) CHRNB2CHRNB4CHRNA3CHRNA4P2RY12
SCHEMBL4868398 0.78 HDAC1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL2992082 0.77 SIGMAR1 (0.37)
SCHEMBL2992969 0.75 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4GFER
SCHEMBL4877253 0.73 KCNH2 (0.39)
SCHEMBL2998890 0.71 BACE1 (0.39) TACR1
SCHEMBL4873846 0.70 GHSR (0.32) CHRNB2CHRNB4CHRNA3CHRNA4

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-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US 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 CHRNB2 3899/4885CHRNB4 3325/4885CHRNA3 2586/4885

“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.