SCHEMBL4666468

SCHEMBL4666468

[CH2]CC1CCN(CCCC2CCCNC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.40
GNAO1 P09471 5/20 0.39
NAAA Q02083 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
NPY1R P25929 4/20 0.36
HRH4 Q9H3N8 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 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
SCHEMBL4664558 0.91 GNAO1 (0.48) CXCR4GNAO1NAAAGNAI3GNAI1
SCHEMBL4378119 0.86 CXCR4 (0.41) CXCR4GNAO1NAAAHRH3NPY1R
SCHEMBL4667680 0.85 GNAO1 (0.41) CXCR4GNAO1HRH3GNAI3GNAI1
SCHEMBL9674013 0.85 CXCR4 (0.49) CXCR4GNAO1NAAAHRH3NPY1R
SCHEMBL4385968 0.85 NAAA (0.41) CXCR4GNAO1NAAAHRH3NPY1R
SCHEMBL9673755 0.84 CXCR4 (0.48) CXCR4NAAAHRH3NPY1RHRH4
SCHEMBL9676455 0.84 CXCR4 (0.48) CXCR4NAAAHRH3NPY1RHRH4
SCHEMBL4666484 0.84 GNAO1 (0.41) CXCR4GNAO1NAAAHRH3NPY1R
SCHEMBL9668263 0.81 NAAA (0.45) CXCR4GNAO1NAAAHRH3NPY1R
SCHEMBL9675526 0.80 NAAA (0.45) CXCR4NAAAHRH3NPY1RHRH4

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

“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.