SCHEMBL4665997

SCHEMBL4665997

[CH2]CC1CCN(CCCN2CCSCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
GNAO1 P09471 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
CCR3 P51677 1/20 0.33
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
KCNH2 Q12809 1/20 0.31
GNAI3 P08754 2/20 0.31
GNAI1 P63096 2/20 0.31
TMEM97 Q5BJF2 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL4666000 0.92 KDM1A (0.35) KDM1ACCR3
SCHEMBL4667679 0.82 HRH3 (0.41) SLC6A2SLC6A4GNAO1SIGMAR1CCR3
SCHEMBL4664557 0.82 HRH3 (0.46) SLC6A2SLC6A4
SCHEMBL4375233 0.81 HRH3 (0.40) KDM1ASLC6A2SLC6A4GNAO1SIGMAR1
SCHEMBL4375229 0.81 KDM1A (0.38) KDM1ASLC6A2SLC6A4GNAO1SIGMAR1
SCHEMBL4378832 0.80 KDM1A (0.40) KDM1AGNAO1GNAI3GNAI1
SCHEMBL4666467 0.80 HRH3 (0.50)
SCHEMBL4666494 0.78 ACHE (0.43) KDM1ASLC6A2SLC6A4GNAO1KCNH2
SCHEMBL4666491 0.78 GNAO1 (0.37) KDM1AGNAO1
SCHEMBL4666076 0.77 KEAP1 (0.48) KDM1ASLC6A2SLC6A4SIGMAR1EPHX1

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 KDM1A 1956/4885SLC6A2 1675/4885SLC6A4 1585/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 KDM1A 2997/4885SLC6A2 1456/4885SLC6A4 930/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 KDM1A 3574/4885SLC6A2 498/4885SLC6A4 326/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 KDM1A 2487/4885SLC6A2 793/4885SLC6A4 1148/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 KDM1A 1890/4885SLC6A2 706/4885SLC6A4 653/4885

“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.