SCHEMBL4664110

SCHEMBL4664110

[CH2]CC1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.37
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
USP2 O75604 1/20 0.35
KCNH2 Q12809 2/20 0.35
HTR4 Q13639 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4666076 0.94 KEAP1 (0.48) ALDH1A1KEAP1SMN1; SMN2KDM4EGLA
SCHEMBL4665976 0.82 CHRM5 (0.34) CYP1A2POLB
SCHEMBL4667715 0.82 CHRM5 (0.39) ALDH1A1CYP1A2POLB
SCHEMBL4667664 0.80 CHRM5 (0.43) ALDH1A1SMN1; SMN2CYP1A2POLB
SCHEMBL4381778 0.78 GLA (0.44) ALDH1A1KEAP1SMN1; SMN2KDM4EGLA
SCHEMBL4381784 0.78 ALDH1A1 (0.54) ALDH1A1KEAP1SMN1; SMN2KDM4EGLA
SCHEMBL664751 0.77 KEAP1 (0.46) ALDH1A1KEAP1SMN1; SMN2KDM4EGLA
SCHEMBL4666000 0.77 KDM1A (0.35) ALDH1A1
SCHEMBL771690 0.76 DRD2 (0.44) KCNH2
SCHEMBL3950647 0.76 SLC18A3 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP2D6DUSP3

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 18 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
CN-1315822-C Quinoline derivatives having VEGF inhibiting activity STRAZENECA AB (SE) 2007-05-16 CN disclosed
US-20060148819-A1 Chemical compounds HENNEQUIN LAURENT F A 2006-07-06 US disclosed
CN-1252065-C Cinnoline compounds ASTRAZENECA AB (SE) 2006-04-19 CN 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
CN-1446212-A Quinoline derivatives having VEGF inhibiting activity STRAZENECA AB (SE) 2003-10-01 CN disclosed
CN-1446214-A Cinnoline compounds ASTRAZENECA AB (SE) 2003-10-01 CN 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-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
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE 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 ALDH1A1 1187/4885KEAP1 2605/4885SMN1; SMN2 3781/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 ALDH1A1 2513/4885KEAP1 2578/4885SMN1; SMN2 3807/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 ALDH1A1 1051/4885KEAP1 2377/4885SMN1; SMN2 3216/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 ALDH1A1 1354/4885KEAP1 1258/4885SMN1; SMN2 3788/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 ALDH1A1 335/4885KEAP1 2952/4885SMN1; SMN2 2554/4885

“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.