SCHEMBL4666076

SCHEMBL4666076

[CH2]CC1CCN(CCCN2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.38
EPHX1 P07099 1/20 0.38
KDM1A O60341 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4664110 0.94 ALDH1A1 (0.43) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL4664557 0.82 HRH3 (0.46) SMN1; SMN2CYP1A2HRH3MAPK1SLC6A2
SCHEMBL4667679 0.82 HRH3 (0.41) SIGMAR1HRH3KCNH2SLC6A2SLC6A4
SCHEMBL4379897 0.81 ALDH1A1 (0.48) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL4379892 0.81 KEAP1 (0.48) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL17517688 0.81 KEAP1 (0.48) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL4379911 0.80 KEAP1 (0.52) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL4666467 0.80 HRH3 (0.50) SMN1; SMN2CYP1A2HRH3MAPK1HRH4
SCHEMBL1998867 0.78 KEAP1 (0.71) KEAP1SMN1; SMN2CYP1A2CYP2D6HPGD
SCHEMBL7192725 0.78 ALDH1A1 (0.48) KEAP1SMN1; SMN2CYP1A2CYP2D6ALDH1A1

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-2002012228-A1 CINNOLINE COMPOUNDS 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-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 KEAP1 2605/4885SMN1; SMN2 3781/4885CYP1A2 1059/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 KEAP1 2578/4885SMN1; SMN2 3807/4885CYP1A2 1687/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 KEAP1 2377/4885SMN1; SMN2 3216/4885CYP1A2 249/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 KEAP1 1258/4885SMN1; SMN2 3788/4885CYP1A2 65/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 KEAP1 2952/4885SMN1; SMN2 2554/4885CYP1A2 859/4885

“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.