SCHEMBL2992969

SCHEMBL2992969

CN1CCCC(CN(C)C(=O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C(=O)O)sc32)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GFER P55789 1/20 0.36
FABP4 P15090 1/20 0.35
P2RY12 Q9H244 1/20 0.34
CHEK1 O14757 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2992967 0.88 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL5231631 0.87 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2998895 0.83 KMT2A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GFER
SCHEMBL2982901 0.80 KDM4E (0.44) KDM4EALDH1A1FABP4KMT2AMEN1
SCHEMBL4868398 0.77 HDAC1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4P2RY12
SCHEMBL5231661 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL3000873 0.75 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4GFER
Trifluoroacetic Acid SCHEMBL3000870 0.75 SLC2A1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4GFER
SCHEMBL4877253 0.72 KCNH2 (0.39)
SCHEMBL5441086 0.72 PRKCA (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO 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.