SCHEMBL4173930

SCHEMBL4173930

COc1ccc(-c2cc(NC(=O)CCCCI)n[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.70
KCNH2 Q12809 3/20 0.68
CHRNA7 P36544 1/20 0.63
CSNK2A2 P19784 1/20 0.57
CSNK2A1 P68400 1/20 0.57
NPY5R Q15761 1/20 0.54

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
SCHEMBL13660049 0.90 CHRNA3 (0.71) CHRNA3KCNH2CHRNA7CSNK2A2CSNK2A1
SCHEMBL1856137 0.89 CHRNA3 (0.70) CHRNA3KCNH2CHRNA7CSNK2A2CSNK2A1
SCHEMBL7930564 0.83 CSNK2A2 (0.65) CHRNA3KCNH2CSNK2A2CSNK2A1NPY5R
SCHEMBL2089449 0.82 CHRNA3 (1.00) CHRNA3KCNH2CHRNA7
SCHEMBL2088367 0.80 CHRNA3 (0.81) CHRNA3KCNH2CHRNA7
SCHEMBL2055637 0.79 CHRNA3 (0.84) CHRNA3KCNH2CHRNA7
SCHEMBL6395915 0.78 CSNK2A2 (0.58) CHRNA3KCNH2CSNK2A2CSNK2A1NPY5R
SCHEMBL1854943 0.78 KCNH2 (1.00) CHRNA3KCNH2CHRNA7
SCHEMBL6583002 0.78 NPY5R (0.65) CHRNA3KCNH2CSNK2A2CSNK2A1NPY5R
Hydrochloric Acid SCHEMBL1863445 0.77 KCNH2 (0.98) CHRNA3KCNH2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 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-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 CHRNA3 3/4885KCNH2 616/4885CHRNA7 1/4885

“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.