SCHEMBL4667708

SCHEMBL4667708

[O]CCC1CCN(CCCN2CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
CHRM2 P08172 6/20 0.38
CHRM4 P08173 6/20 0.38
CHRM5 P08912 6/20 0.38
CHRM1 P11229 6/20 0.38
CHRM3 P20309 6/20 0.38
ACHE P22303 1/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CXCR4 P61073 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4664113 0.96 HRH3 (0.43) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL4666482 0.94 HRH3 (0.46) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL4666036 0.92 GNAO1 (0.35) GNAO1HRH3CHRM5ACHEALDH1A1
SCHEMBL4664568 0.88 CYP1A2 (0.38) GNAO1HRH3CHRM5ACHEALDH1A1
SCHEMBL4666053 0.86 CYP1A2 (0.41) GNAO1HRH3CHRM5ACHEALDH1A1
SCHEMBL4384227 0.83 HRH3 (0.41) GNAO1HRH3ACHECXCR4CYP1A2
SCHEMBL4666491 0.83 GNAO1 (0.37) GNAO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4664576 0.83 ALDH1A1 (0.48) GNAO1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4667713 0.80 HRH3 (0.52) GNAO1HRH3CHRM2CHRM4CHRM5
SCHEMBL4373296 0.79 HRH3 (0.46) HRH3CHRM5ACHEADRA1DCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20060148819-A1 Chemical compounds HENNEQUIN LAURENT F A 2006-07-06 US disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 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 (5 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-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 GNAO1 1728/4885HRH3 27/4885CHRM2 1224/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 GNAO1 187/4885HRH3 145/4885CHRM2 2653/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 GNAO1 1348/4885HRH3 5/4885CHRM2 170/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 GNAO1 41/4885HRH3 44/4885CHRM2 232/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 GNAO1 388/4885HRH3 109/4885CHRM2 902/4885

“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.