SCHEMBL4667713

SCHEMBL4667713

OCCC1CCN(CCCN2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
ACHE P22303 2/20 0.52
CHRM2 P08172 8/20 0.41
CHRM1 P11229 8/20 0.41
CHRM3 P20309 7/20 0.41
CHRM4 P08173 6/20 0.41
CHRM5 P08912 6/20 0.41
DRD3 P35462 5/20 0.41
DRD2 P14416 4/20 0.41
DRD4 P21917 3/20 0.41
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
ADRA1A P35348 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4664118 0.96 HRH3 (0.56) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL4666488 0.94 HRH3 (0.58) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL4666042 0.92 ACHE (0.48) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL7455560 0.89 HRH3 (0.57) HRH3ACHECYP1A2GNAO1
SCHEMBL4664572 0.88 HRH3 (0.51) HRH3ACHECHRM5CYP1A2ADRA2C
SCHEMBL3424285 0.88 ACHE (0.48) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL4666062 0.86 HRH3 (0.54) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL4384235 0.83 HRH3 (0.50) HRH3ACHESLC6A2CYP1A2SLC6A4
SCHEMBL4666494 0.83 ACHE (0.43) HRH3ACHECHRM2CHRM1CHRM3
SCHEMBL4664578 0.83 ALDH1A1 (0.50) HRH3ACHECHRM2CHRM1CHRM3

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 27/4885ACHE 2470/4885CHRM2 1224/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 HRH3 145/4885ACHE 4280/4885CHRM2 2653/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 HRH3 5/4885ACHE 816/4885CHRM2 170/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 HRH3 44/4885ACHE 1511/4885CHRM2 232/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 HRH3 109/4885ACHE 3503/4885CHRM2 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.