SCHEMBL4667716

SCHEMBL4667716

[CH2]CC1CCN(CCC2CCCN2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.35
GNAO1 P09471 1/20 0.33
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4667667 0.95 CYP2D6 (0.35) CXCR4GNAO1HTR1AHTR1DHTR2A
SCHEMBL4665977 0.87 GNAO1 (0.36) GNAO1
SCHEMBL4383519 0.83 CXCR4 (0.35) CXCR4GNAO1HTR1AHTR1DHTR2A
SCHEMBL4383201 0.82 CXCR4 (0.36) CXCR4HTR1AHTR1DHTR2AHRH1
SCHEMBL4664569 0.81 GNAO1 (0.36) CXCR4GNAO1HRH1
SCHEMBL11300211 0.81 CXCR4 (0.44) CXCR4HTR1AHTR2AKCNH2
SCHEMBL24322555 0.79 CARM1 (0.44) CXCR4
SCHEMBL4300723 0.79 CARM1 (0.44) CXCR4
SCHEMBL4300726 0.79 CARM1 (0.44) CXCR4
SCHEMBL4378811 0.78 KMT2A (0.36) CXCR4GNAO1HTR1AHTR1DHTR2A

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 CXCR4 114/4885GNAO1 1728/4885HTR1A 2919/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 CXCR4 149/4885GNAO1 187/4885HTR1A 1807/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 CXCR4 13/4885GNAO1 1348/4885HTR1A 817/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 CXCR4 110/4885GNAO1 41/4885HTR1A 234/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 CXCR4 21/4885GNAO1 388/4885HTR1A 722/4885

“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.