SCHEMBL4667680

SCHEMBL4667680

[CH2]CC1CCN(CCCC2CNC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.41
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 0.33
CXCR4 P61073 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
CCR3 P51677 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL4664558 0.88 GNAO1 (0.48) GNAO1GNAI3GNAI1CXCR4
SCHEMBL4666468 0.85 CXCR4 (0.40) GNAO1GNAI3GNAI1CXCR4HRH3
SCHEMBL4374852 0.84 GNAO1 (0.38) GNAO1GNAI3GNAI1CXCR4CHRM2
SCHEMBL4384231 0.82 GNAO1 (0.41) GNAO1GNAI3GNAI1CXCR4HRH3
SCHEMBL4667710 0.81 GNAO1 (0.43) GNAO1GNAI3GNAI1CXCR4HRH3
SCHEMBL25565697 0.80 CARM1 (0.44) GNAO1HRH3SIGMAR1
SCHEMBL18497449 0.79 HRH3 (0.46) GNAO1CXCR4HRH3SIGMAR1
SCHEMBL4664557 0.75 HRH3 (0.46) CXCR4HRH3CHRM5
SCHEMBL4667679 0.75 HRH3 (0.41) GNAO1CXCR4HRH3CCR3SIGMAR1
SCHEMBL3949540 0.75 GNAO1 (0.32) GNAO1CHRM2CHRM4CHRM5CHRM1

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 GNAO1 1728/4885GNAI3 1107/4885GNAI1 920/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 GNAO1 187/4885GNAI3 58/4885GNAI1 31/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 GNAO1 1348/4885GNAI3 1444/4885GNAI1 2250/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 GNAO1 41/4885GNAI3 84/4885GNAI1 118/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 GNAO1 388/4885GNAI3 542/4885GNAI1 494/4885

“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.