SCHEMBL315893

SCHEMBL315893

COCCN1CCC(CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
GBA1 P04062 2/20 0.46
HRH3 Q9Y5N1 2/20 0.41
ACHE P22303 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 2/20 0.37
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PARP1 P09874 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
SCHEMBL13291461 0.89 HRH3 (0.49) LTA4HGBA1HRH3ACHESLC6A4
SCHEMBL1999164 0.89 GBA1 (0.47) LTA4HGBA1HRH3ACHEHSD11B1
SCHEMBL4376655 0.85 ACHE (0.44) GBA1HRH3ACHEHSD11B1KDM1A
SCHEMBL27761966 0.82 HSD11B1 (0.40) GBA1HSD11B1KDM1AALDH1A1GSK3B
SCHEMBL4371150 0.82 GBA1 (0.41) GBA1HRH3ACHEHSD11B1KDM1A
SCHEMBL23205040 0.82 KDM1A (0.40) HRH3HSD11B1KDM1A
SCHEMBL12083 0.82 KDM1A (0.40) GBA1HRH3HSD11B1KDM1AALDH1A1
SCHEMBL14487940 0.82 KDM1A (0.40) GBA1HSD11B1KDM1AALDH1A1GSK3B
SCHEMBL4388766 0.80 HSD11B1 (0.41) GBA1HSD11B1KDM1AALDH1A1GSK3B
SCHEMBL11971970 0.80 NCF1 (0.54) GBA1HSD11B1KDM1AALDH1A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP claimed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US claimed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP claimed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO claimed
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 EP disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 US disclosed
US-20160346268-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 US disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 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-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-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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-20160346268-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3B LTA4H 43/4885GBA1 2578/4885HRH3 427/4885
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 LTA4H 2479/4885GBA1 1142/4885HRH3 305/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 LTA4H 2479/4885GBA1 1142/4885HRH3 305/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 LTA4H 2479/4885GBA1 1142/4885HRH3 305/4885

“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.