SCHEMBL4664568

SCHEMBL4664568

[O]CCC1CCN(CCN2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ACHE P22303 2/20 0.36
GNAO1 P09471 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4666053 0.98 CYP1A2 (0.41) CYP1A2CHRM5ADRA2CHRH3ACHE
SCHEMBL4666036 0.96 GNAO1 (0.35) CYP1A2CHRM5ADRA2CHRH3ACHE
SCHEMBL4664113 0.92 HRH3 (0.43) CYP1A2CHRM5HRH3ACHEGNAO1
SCHEMBL4666482 0.90 HRH3 (0.46) CYP1A2CHRM5ADRA2CHRH3ACHE
SCHEMBL4667708 0.88 GNAO1 (0.40) CYP1A2CHRM5HRH3ACHEGNAO1
SCHEMBL4665995 0.83 ALDH1A1 (0.44) CYP1A2ALDH1A1POLB
SCHEMBL4383518 0.82 CHRM5 (0.39) CYP1A2CHRM5ADRA2CHRH3ACHE
SCHEMBL4666493 0.82 KDM1A (0.33) GNAO1
SCHEMBL4293849 0.81 SLC18A3 (0.42) CHRM5HRH3ACHEGNAO1ALDH1A1
SCHEMBL4378807 0.80 CHRM5 (0.43) CYP1A2CHRM5ADRA2CHRH3ACHE

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 9 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
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 CYP1A2 1059/4885CHRM5 1292/4885ADRA2C 1602/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 CYP1A2 1687/4885CHRM5 1885/4885ADRA2C 1149/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 CYP1A2 249/4885CHRM5 220/4885ADRA2C 223/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 CYP1A2 65/4885CHRM5 89/4885ADRA2C 52/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 CYP1A2 859/4885CHRM5 757/4885ADRA2C 142/4885

“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.