SCHEMBL5219755

SCHEMBL5219755

O=[C]c1ccc(-c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CHEK1 O14757 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ RET P07949 1/20 0.36

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
SCHEMBL20448759 0.82 LTA4H (0.43) RAB9ANPC1SMN1; SMN2NPSR1MAP4K4
SCHEMBL19385063 0.79 RAB9A (0.45) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL31588411 0.79 CHEK1 (0.63) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL70602 0.79 CHEK1 (0.63) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL5247445 0.78 CNR2 (0.47) RAB9ANPC1SMN1; SMN2MAPTMAP4K4
SCHEMBL10131002 0.76 GRM5 (0.54) —
SCHEMBL27014322 0.76 GRM5 (0.43) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL27914485 0.73 LDHA (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1KDR
SCHEMBL2317975 0.71 DEGS1 (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL3146845 0.70 NPC1 (0.54) RAB9ANPC1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 — — EP claimed
CN-108350034-B Antimicrobial polymyxin derived compounds 莫纳什大学 2022-03-11 — — CN claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 — — US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 — — EP claimed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 — — EP disclosed
CN-108350034-B Antimicrobial polymyxin derived compounds 莫纳什大学 2022-03-11 — — CN disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — US disclosed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 — — US disclosed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 — — EP disclosed
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 — — EP disclosed
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HANCOCK ARTHUR A (US) 2005-05-26 — — US disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 — — WO disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 — — WO disclosed
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions ABBOTT LABORATORIES 2003-07-17 — — US disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 — — EP disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 — — US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 — — US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 — — US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 — — 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 (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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 RAB9A 1738/4885NPC1 2137/4885NFKB1 2631/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 RAB9A 1738/4885NPC1 2137/4885NFKB1 2631/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD RAB9A 3779/4885NPC1 2542/4885NFKB1 344/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD RAB9A 3779/4885NPC1 2542/4885NFKB1 344/4885
US-20050113435-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 RAB9A 2934/4885NPC1 3697/4885NFKB1 2749/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 RAB9A 2929/4885NPC1 3440/4885NFKB1 2893/4885

“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.

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