Sugi Predict

Sugi Predict / Compounds / SCHEMBL3032094

SCHEMBL3032094

SCHEMBL3032094

O=C(NCCCn1ccnc1)Nc1ccc(CN2CCCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.64
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ FAAH O00519 1/20 0.55
▸ LMNA P02545 4/20 0.54
▸ HRH3 Q9Y5N1 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HMOX1 P09601 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.48

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
SCHEMBL3030694 0.94 QPCT (0.57) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3036065 0.91 QPCT (0.55) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3041183 0.85 FAAH (0.60) FAAHLMNAHRH3L3MBTL1GAA
SCHEMBL3044695 0.83 FAAH (0.62) FAAHLMNAHRH3ALDH1A1GAA
SCHEMBL3036140 0.79 LMNA (0.55) FAAHLMNAHRH3
SCHEMBL3032934 0.78 FAAH (0.56) FAAHLMNAHRH3
SCHEMBL3032087 0.78 MAPT (0.60) FAAHLMNAMAPTPKM
SCHEMBL1775043 0.78 CYP1A2 (0.79) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7868636 0.77 PKM (0.73) QPCTALDH1A1L3MBTL1GAAHSD17B10
SCHEMBL22468165 0.77 HRH3 (0.47) QPCTFAAHLMNAHRH3HMOX1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS LLC (US) 2025-09-25 — — US disclosed
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELLTAXIS, LLC (US) 2024-12-24 — — US disclosed
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS LLC (US) 2023-08-10 — — US disclosed
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase Celltaxsis, LLC (US) 2022-03-08 — — US disclosed
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2020-10-01 — — US disclosed
EP-3205644-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2017-08-16 — — EP disclosed
EP-1976828-B1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-12-21 — — EP disclosed
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-09-22 — — US disclosed
US-9315509-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2016-04-19 — — US disclosed
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE DOMAIN PARTNERS VIII, L.P. 2015-03-19 — — US disclosed
US-8569303-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2013-10-29 — — US disclosed
US-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. 2013-05-16 — — US disclosed
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase ESTRELLITA PHARMACEUTICALS, LLC 2010-08-19 — — US disclosed
US-7737145-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase ESTRELLITA PHARMACEUTICALS, LLC (US) 2010-06-15 — — US disclosed
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 — — 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 (10 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-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S QPCT 298/4885CYP1A2 1147/4885CYP3A4 256/4885

“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.