SCHEMBL15041229

SCHEMBL15041229

CN(CC[N+]1(C)CCCC1)c1cc(N)ccc1N

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL15041153 0.99 CHRNA7 (0.32) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15041145 0.92 CHRM2 (0.33)
SCHEMBL15041154 0.90 CHRM2 (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15546579 0.88 CASP1 (0.31) CHRNA7ALDH1A1HPGDKMT2A
SCHEMBL15041155 0.87 CHRNB2 (0.34) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15546616 0.87 CHRNA7 (0.32) CHRNA7CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL14785141 0.86 LMNA (0.37) ALDH1A1HPGDKMT2A
SCHEMBL14785276 0.85 LMNA (0.39) CHRNA7CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL15545661 0.80 CHRM2 (0.33)
SCHEMBL15041148 0.80 HPGD (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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-20150150766-A1 CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2015-06-04 US disclosed
WO-2013087934-A1 CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 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-20150150766-A1 CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, PPHLN1, PPIF CHRNA7 1923/4885CHRNB2 2182/4885CHRNB4 1822/4885

“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.