SCHEMBL4664572

SCHEMBL4664572

OCCC1CCN(CCN2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
ACHE P22303 2/20 0.51
CYP1A2 P05177 1/20 0.38
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC18A3 Q16572 1/20 0.35
GNAO1 P09471 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TYMP P19971 2/20 0.34

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
SCHEMBL4666062 0.98 HRH3 (0.54) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL4666042 0.96 ACHE (0.48) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL4664118 0.92 HRH3 (0.56) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL4666488 0.90 HRH3 (0.58) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL7455560 0.88 HRH3 (0.57) HRH3ACHECYP1A2GNAO1ALDH1A1
SCHEMBL4667713 0.88 HRH3 (0.52) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL1318049 0.86 SLC18A3 (0.46) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL4665998 0.83 ALDH1A1 (0.55) HRH3ACHECYP1A2ALDH1A1KDM4E
SCHEMBL3424285 0.83 ACHE (0.48) HRH3ACHECYP1A2CHRM5ADRA2C
SCHEMBL4383525 0.82 HRH3 (0.49) HRH3ACHECYP1A2CHRM5ADRA2C

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 HRH3 27/4885ACHE 2470/4885CYP1A2 1059/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 HRH3 145/4885ACHE 4280/4885CYP1A2 1687/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 HRH3 5/4885ACHE 816/4885CYP1A2 249/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 HRH3 44/4885ACHE 1511/4885CYP1A2 65/4885
US-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 HRH3 109/4885ACHE 3503/4885CYP1A2 859/4885

“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.