SCHEMBL4196487

SCHEMBL4196487

CCN(CCCCCCN)Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
CYP2A6 P11509 1/20 0.51
CHRNA7 P36544 2/20 0.46
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL27946217 0.85 CYP2A6 (0.61) HRH1CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL4205219 0.82 HRH1 (0.51) HRH1BCHEACHE
SCHEMBL7996307 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA7CYP3A4TDP1
SCHEMBL4369012 0.82 BCHE (0.58) BCHEACHEMAOB
SCHEMBL10509238 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CYP3A4TDP1
SCHEMBL12197592 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CYP3A4TDP1
SCHEMBL27928441 0.78 CHRNA7 (0.58) HRH1CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL4197526 0.77 CHRNB2 (0.42) CHRNB2CHRNA4KCNA5BCHEACHE
SCHEMBL28230034 0.77 TDP1 (0.67) HRH1CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL14376115 0.77 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093521-A1 2, 5-Bis-Diamine [1,4] Benzoquinone-Derivatives ALMA MATER STUDIORUM - UNIVERISTA'DI BOLOGNA (IL) 2009-04-09 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 (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-20090093521-A1 2, 5-Bis-Diamine [1,4] Benzoquinone-Derivatives POLQ, DDX5, SDHA HRH1 3156/4885CHRNB2 4615/4885CHRNA4 4464/4885

“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.