SCHEMBL4667667

SCHEMBL4667667

[CH2]CC1CCN(CCC2CCCCN2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL4667716 0.95 CXCR4 (0.35) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL4665977 0.86 GNAO1 (0.36) GNAO1
SCHEMBL4378811 0.83 KMT2A (0.36) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL4376304 0.83 CYP2D6 (0.37) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL8333360 0.82 CYP1A2 (0.46) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL4666057 0.82 FDPS (0.37) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL5683177 0.80 CYP1A2 (0.48) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL7961057 0.80 CYP1A2 (0.48) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL4454573 0.80 CYP1A2 (0.48) CYP2D6KMT2AHTR1AHTR2AKCNH2
SCHEMBL24322374 0.79 ACHE (0.43) CYP2D6KMT2AHTR1AHTR2AKCNH2

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 CYP2D6 2051/4885KMT2A 2959/4885HTR1A 2919/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 CYP2D6 2264/4885KMT2A 3871/4885HTR1A 1807/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 CYP2D6 954/4885KMT2A 4224/4885HTR1A 817/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 CYP2D6 301/4885KMT2A 2471/4885HTR1A 234/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 CYP2D6 2146/4885KMT2A 3184/4885HTR1A 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.