SCHEMBL6402997

SCHEMBL6402997

CCN(CC)C1CCN(CCCO)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
BCHE P06276 5/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HTR1A P08908 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
GBA1 P04062 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
SCHEMBL6402995 0.83 HRH3 (0.37) HRH3BCHEKMT2AJAK2JAK1
SCHEMBL5663359 0.82 HRH3 (0.46) HRH3BCHEJAK2JAK1HRH2
SCHEMBL12841915 0.82 MEN1 (0.41) KMT2ADRD1DRD4DRD5DRD3
SCHEMBL13456547 0.82 KMT2A (0.35) KMT2A
SCHEMBL8441895 0.77 SMN1; SMN2 (0.35) HRH3KMT2A
SCHEMBL14258640 0.74 NPY1R (0.42) HRH3HRH2HRH1
SCHEMBL13456545 0.74 KDM4E (0.35) KMT2ADRD3
SCHEMBL2116543 0.73 HTR1A (0.38) BCHEHRH1HTR1ADRD1DRD4
SCHEMBL26498841 0.73 GNAO1 (0.55) BCHEKMT2A
SCHEMBL2115306 0.72 SIGMAR1 (0.41) HRH3

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-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HRH3 673/4885BCHE 3544/4885KMT2A 1693/4885

“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.