SCHEMBL4666484

SCHEMBL4666484

[O]CCC1CCN(CCCC2CCCNC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.41
NAAA Q02083 1/20 0.41
CXCR4 P61073 2/20 0.40
HRH3 Q9Y5N1 2/20 0.38
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NPY1R P25929 6/20 0.35
HRH4 Q9H3N8 1/20 0.34
BACE1 P56817 2/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL4664115 0.91 GNAO1 (0.50) GNAO1NAAACXCR4HRH3
SCHEMBL4385968 0.90 NAAA (0.41) GNAO1NAAACXCR4HRH3KMT2A
SCHEMBL4667710 0.86 GNAO1 (0.43) GNAO1CXCR4HRH3
SCHEMBL9674013 0.84 CXCR4 (0.49) GNAO1NAAACXCR4HRH3KMT2A
SCHEMBL4666468 0.84 CXCR4 (0.40) GNAO1NAAACXCR4HRH3KMT2A
SCHEMBL9673755 0.83 CXCR4 (0.48) NAAACXCR4HRH3KMT2ASLC6A2
SCHEMBL9676455 0.83 CXCR4 (0.48) NAAACXCR4HRH3KMT2ASLC6A2
SCHEMBL4378119 0.82 CXCR4 (0.41) GNAO1NAAACXCR4HRH3KMT2A
SCHEMBL1097819 0.80
SCHEMBL4373301 0.80 GNAO1 (0.48) GNAO1NAAACXCR4

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-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 GNAO1 1728/4885NAAA 4573/4885CXCR4 114/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 GNAO1 187/4885NAAA 4802/4885CXCR4 149/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 GNAO1 1348/4885NAAA 3811/4885CXCR4 13/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 GNAO1 41/4885NAAA 3179/4885CXCR4 110/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 GNAO1 388/4885NAAA 4382/4885CXCR4 21/4885

“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.