SCHEMBL5488178

SCHEMBL5488178

C1CCN(CCCCC2CCCNC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
NAAA Q02083 1/20 0.44
CXCR4 P61073 3/20 0.43
NPY1R P25929 3/20 0.41
GNAO1 P09471 1/20 0.39
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9668263 0.98 NAAA (0.45) HRH3NAAACXCR4NPY1RGNAO1
SCHEMBL9673755 0.95 CXCR4 (0.48) HRH3NAAACXCR4NPY1RCHRM5
SCHEMBL9676455 0.95 CXCR4 (0.48) HRH3NAAACXCR4NPY1RCHRM5
SCHEMBL9674013 0.93 CXCR4 (0.49) HRH3NAAACXCR4NPY1RGNAO1
SCHEMBL4157945 0.90 GNAO1 (0.47) HRH3NAAACXCR4GNAO1
SCHEMBL9673816 0.88 CYP1A2 (0.42) HRH3NAAACXCR4NPY1RCHRM5
SCHEMBL9676384 0.88 CYP1A2 (0.42) HRH3NAAACXCR4NPY1RCHRM5
SCHEMBL3816667 0.86 SLC6A2 (0.42) HRH3NAAACXCR4NPY1RCHRM5
SCHEMBL7403030 0.82 GNAO1 (0.46) HRH3NAAACXCR4NPY1RGNAO1
SCHEMBL7126423 0.81 GNAO1 (0.57) HRH3CXCR4NPY1RGNAO1

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-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 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-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 HRH3 1491/4885NAAA 1934/4885CXCR4 655/4885

“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.