SCHEMBL4868111

SCHEMBL4868111

N#CN1C(c2ccccc2)CCCC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
RIPK1 Q13546 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36

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
SCHEMBL4868104 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14065401 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14065393 0.81 CYP19A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25173925 0.77 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28187303 0.76 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL443829 0.72 ALDH1A1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL443828 0.72 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7695528 0.71 KMT2A (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3609864 0.69 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9673362 0.67 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-20050209222-A1 Pharmaceutically active compounds and methods of use CAMBRIDGE NEUROSCIENCE, INC. 2005-09-22 US disclosed
US-6756389-B2 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. 2004-06-29 US disclosed
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH 2003-04-10 US 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 (2 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-20050209222-A1 Pharmaceutically active compounds and methods of use ACHE, NLN, PARK7 CHRNB2 263/4885CHRNB4 281/4885CHRNA3 195/4885
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE ACHE, NLN, PARK7 CHRNB2 263/4885CHRNB4 281/4885CHRNA3 195/4885

“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.