SCHEMBL4385963

SCHEMBL4385963

CC(C)N1CCC(CCC[O])CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
HTR4 Q13639 1/20 0.33
KDM1A O60341 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL4374285 0.88 HRH3 (0.45) HRH3ALDH1A1KCNH2CYP2D6TLR7
SCHEMBL31272933 0.87 HRH3 (0.47) HRH3ALDH1A1KCNH2CYP2D6TLR7
SCHEMBL31273027 0.87 HRH3 (0.47) HRH3ALDH1A1KCNH2CYP2D6TLR7
SCHEMBL25122685 0.83 HRH3 (0.50) HRH3KCNH2CYP2D6HTR4
SCHEMBL7706841 0.82 CYP1A2 (0.50) HRH3ALDH1A1TLR7
SCHEMBL9035222 0.80 HRH3 (0.43) HRH3ALDH1A1KCNH2CYP2D6TLR7
SCHEMBL17995585 0.80 HRH3 (0.43) HRH3ALDH1A1KCNH2CYP2D6TLR7
SCHEMBL23625656 0.80 CYP1A2 (0.43) HRH3TLR7
SCHEMBL4385966 0.80 HRH3 (0.43) HRH3ALDH1A1KCNH2CYP2D6SLC18A3
SCHEMBL25630382 0.80 NCF1 (0.43) HRH3ALDH1A1TLR7SLC18A3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
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-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060148819-A1 Chemical compounds HENNEQUIN LAURENT F A 2006-07-06 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 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-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY 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-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 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 (4 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 27/4885ALDH1A1 1187/4885KCNH2 263/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HRH3 739/4885ALDH1A1 822/4885KCNH2 1496/4885
US-20060148819-A1 Chemical compounds VEGFA, NOS3, FLT4 HRH3 5/4885ALDH1A1 1051/4885KCNH2 1196/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 HRH3 204/4885ALDH1A1 3323/4885KCNH2 2093/4885

“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.