SCHEMBL113405

SCHEMBL113405

CNc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
CYP1A2 P05177 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
HTR2A P28223 1/20 0.61
SCN1A P35498 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
SCN2A Q99250 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
SCN3A Q9NY46 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL7353075 0.86 PSMB1 (0.66) LTA4HHRH3KDM4E
SCHEMBL5785769 0.85 GAA (0.60) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL23742244 0.84 PSMB1 (0.69) LTA4HHRH3KDM4E
SCHEMBL21102893 0.84 LTA4H (0.64) LTA4HALDH1A1HRH3NPC1RAB9A
SCHEMBL12764930 0.84 ALDH1A1 (0.61) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL11882168 0.84 KDM4E (0.62) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL3398839 0.84 NPC1 (0.59) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL14621966 0.83 EPHX2 (0.59) ALDH1A1NPC1SMN1; SMN2KDM4ETSHR
SCHEMBL82383 0.83 ALDH1A1 (0.67) LTA4HALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL29508217 0.83 ALDH1A1 (0.88) LTA4HALDH1A1MAPK1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-4011882-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2022-06-15 EP disclosed
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 CN disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
US-11001559-B2 4-substituted aminoisoquinoline derivatives PURDUE RESEARCH FOUNDATION (US) 2021-05-11 US disclosed
US-20190177278-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2019-06-13 US disclosed
WO-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 WO disclosed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US 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 (6 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-20190177278-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 LTA4H 3613/4885ALDH1A1 1769/4885MAPK1 3315/4885
US-11001559-B2 4-substituted aminoisoquinoline derivatives MCL1, ABL1, FLT3 LTA4H 3613/4885ALDH1A1 1769/4885MAPK1 3315/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 LTA4H 2159/4885ALDH1A1 2743/4885MAPK1 2366/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 LTA4H 2159/4885ALDH1A1 2743/4885MAPK1 2366/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A LTA4H 225/4885ALDH1A1 623/4885MAPK1 2233/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A LTA4H 225/4885ALDH1A1 623/4885MAPK1 2233/4885

“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.