SCHEMBL4666495

SCHEMBL4666495

OCCC1CCN(CCN2CCSCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
ADRA1A P35348 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
DRD2 P14416 2/20 0.34
CHRM3 P20309 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 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
SCHEMBL4666494 0.93 ACHE (0.43) ACHEHRH3CHRM2CHRM1DRD3
SCHEMBL12936784 0.89 ESR2 (0.33) ACHEHRH3DRD3HTR1ADRD2
SCHEMBL4382654 0.84 LTA4H (0.38) ACHEHRH3KDM1AGNAO1SLC18A3
SCHEMBL4664572 0.82 HRH3 (0.51) ACHEHRH3CYP1A2ADRA2COPRK1
SCHEMBL4666042 0.82 ACHE (0.48) ACHEHRH3CHRM2CHRM1DRD3
SCHEMBL1318049 0.81 SLC18A3 (0.46) ACHEHRH3CHRM2CHRM1DRD3
SCHEMBL4666493 0.81 KDM1A (0.33) KDM1AGNAO1ARG1ARG2
SCHEMBL12936764 0.81 CHRM5 (0.38) ACHEDRD2MEN1ADRA2CHTR2A
SCHEMBL4666062 0.80 HRH3 (0.54) ACHEHRH3CHRM2CHRM1KCNH2
SCHEMBL4665998 0.78 ALDH1A1 (0.55) ACHEHRH3USP2CYP1A2CYP2D6

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