SCHEMBL4667679

SCHEMBL4667679

[CH2]CC1CCN(CCCN2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
CXCR4 P61073 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR3 P51677 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GNAO1 P09471 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4664557 0.96 HRH3 (0.46) HRH3CXCR4SLC6A2SLC6A4HRH4
SCHEMBL4666467 0.94 HRH3 (0.50) HRH3HRH4ACHE
SCHEMBL4665976 0.91 CHRM5 (0.34) HRH3CCR3ACHE
SCHEMBL4667715 0.86 CHRM5 (0.39) HRH3CCR3ACHE
SCHEMBL4667664 0.84 CHRM5 (0.43) HRH3ACHE
SCHEMBL4665997 0.82 KDM1A (0.38) SLC6A2SLC6A4CCR3SIGMAR1GNAO1
SCHEMBL4666076 0.82 KEAP1 (0.48) HRH3SLC6A2SLC6A4SIGMAR1HRH4
SCHEMBL3955932 0.81 CHRM2 (0.36) HRH3CCR3SIGMAR1GNAO1ACHE
SCHEMBL4384235 0.78 HRH3 (0.50) HRH3CXCR4SLC6A2SLC6A4CCR3
SCHEMBL4384227 0.78 HRH3 (0.41) HRH3CXCR4SLC6A2SLC6A4CCR3

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-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
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY 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 27/4885CXCR4 114/4885SLC6A2 1675/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 HRH3 145/4885CXCR4 149/4885SLC6A2 1456/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 HRH3 5/4885CXCR4 13/4885SLC6A2 498/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 HRH3 44/4885CXCR4 110/4885SLC6A2 793/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 HRH3 109/4885CXCR4 21/4885SLC6A2 706/4885

“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.