SCHEMBL4665995

SCHEMBL4665995

[O]CCC1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KEAP1 Q14145 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.37
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35
DAO P14920 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL4664576 0.94 ALDH1A1 (0.48) ALDH1A1GLASMN1; SMN2KDM4EKEAP1
SCHEMBL4664568 0.83 CYP1A2 (0.38) ALDH1A1CYP1A2POLB
SCHEMBL4666036 0.83 GNAO1 (0.35) ALDH1A1CYP1A2
SCHEMBL4381778 0.83 GLA (0.44) ALDH1A1GLASMN1; SMN2KDM4EKEAP1
SCHEMBL4666053 0.82 CYP1A2 (0.41) ALDH1A1SMN1; SMN2CYP1A2POLB
SCHEMBL4665998 0.80 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2KDM4EKEAP1
SCHEMBL8233850 0.79 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2KDM4EKEAP1
SCHEMBL4379892 0.78 KEAP1 (0.48) ALDH1A1GLASMN1; SMN2KDM4EKEAP1
SCHEMBL4666493 0.78 KDM1A (0.33)
SCHEMBL4293849 0.78 SLC18A3 (0.42) ALDH1A1SMN1; SMN2KDM4ELMNA

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 13 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-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-2002012226-A1 QUINOLINE 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 (4 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 1187/4885GLA 1921/4885SMN1; SMN2 3781/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 ALDH1A1 2513/4885GLA 789/4885SMN1; SMN2 3807/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 ALDH1A1 1051/4885GLA 2902/4885SMN1; SMN2 3216/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 ALDH1A1 335/4885GLA 2328/4885SMN1; 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.