SCHEMBL4664557

SCHEMBL4664557

[CH2]CC1CCN(CCCN2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ACHE P22303 2/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
CXCR4 P61073 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL4666467 0.98 HRH3 (0.50) HRH3HRH4ACHECHRM5ADRA2C
SCHEMBL4667679 0.96 HRH3 (0.41) HRH3HRH4ACHECXCR4SLC6A2
SCHEMBL4667715 0.91 CHRM5 (0.39) HRH3MAPTACHECHRM5ADRA2C
SCHEMBL4667664 0.89 CHRM5 (0.43) HRH3MAPTACHECHRM5ADRA2C
SCHEMBL4665976 0.86 CHRM5 (0.34) HRH3ACHECHRM5ADRA2CCYP1A2
SCHEMBL4665997 0.82 KDM1A (0.38) SLC6A2SLC6A4
SCHEMBL4666076 0.82 KEAP1 (0.48) HRH3HRH4CYP1A2MAPK1SMN1; SMN2
SCHEMBL3955932 0.81 CHRM2 (0.36) HRH3ACHECHRM5
SCHEMBL4373304 0.78 HRH3 (0.54) HRH3MAPTHRH4ACHECHRM5
SCHEMBL4373296 0.78 HRH3 (0.46) HRH3MAPTHRH4ACHECHRM5

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 14 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
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 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 (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 HRH3 27/4885MAPT 3874/4885HRH4 32/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 HRH3 145/4885MAPT 4144/4885HRH4 72/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 HRH3 5/4885MAPT 3160/4885HRH4 4/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 HRH3 44/4885MAPT 4433/4885HRH4 13/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 HRH3 109/4885MAPT 4472/4885HRH4 67/4885

“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.