SCHEMBL5044760

SCHEMBL5044760

[CH2]CN(C)C(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 5/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 3/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
EPHX1 P07099 1/20 0.37
DNM1 Q05193 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 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
SCHEMBL5543743 0.94 TSHR (0.47) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL5536947 0.92 TSHR (0.50) ALDH1A1TSHRHCAR2NAAAESR1
SCHEMBL5542893 0.88 CHRNB2 (0.39) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL16119487 0.83 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL14138540 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL25565603 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL28046263 0.79 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL8908162 0.79 CHRNB2 (0.58) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL771088 0.79
SCHEMBL2291415 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHPGDATMHCAR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US claimed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US claimed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US claimed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US claimed
CN-1446212-A Quinoline derivatives having VEGF inhibiting activity STRAZENECA AB (SE) 2003-10-01 CN claimed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP claimed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP claimed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP claimed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO claimed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO claimed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO claimed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 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-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US 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
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (2 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-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 ALDH1A1 1354/4885TSHR 2177/4885HPGD 1253/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 ALDH1A1 335/4885TSHR 2148/4885HPGD 1567/4885

“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.