SCHEMBL3036998

SCHEMBL3036998

COC(=O)c1ccc(CN2CCCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.62
CXCR4 P61073 8/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
ADRA2C P18825 1/20 0.61
CCR2 P41597 1/20 0.61
CXCL12 P48061 1/20 0.61
BLM P54132 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRM3 P20309 1/20 0.51

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
Hydrochloric Acid SCHEMBL20305004 0.99 CXCR4 (0.62) CHKACXCR4MEN1KMT2ACHRM2
SCHEMBL3569140 0.94 CHKA (0.60) CHKACXCR4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL19585072 0.93 CHKA (0.59) CHKACXCR4MEN1KMT2AKDM4E
SCHEMBL5038790 0.93 CHKA (0.59) CHKACXCR4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL10900610 0.93 CHKA (0.59) CHKACXCR4MEN1KMT2AKDM4E
SCHEMBL20210248 0.87 CHKA (0.77) CHKAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2873979 0.87 CHKA (0.72) CHKAMEN1KMT2AHRH3KDM4E
SCHEMBL228900 0.86 CHKA (0.71) CHKAMEN1KMT2AHRH3KDM4E
SCHEMBL1335735 0.86 CHKA (0.71) CHKAMEN1KMT2AHRH3KDM4E
Hydrochloric Acid SCHEMBL3882134 0.86 CHKA (0.71) CHKAMEN1KMT2AHRH3KDM4E

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 20 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
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 WO 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
EP-1976828-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Schering Aktiengesellschaft (DE) 2008-10-08 EP disclosed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (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 (11 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 CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CHKA 2808/4885CXCR4 593/4885MEN1 4385/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S CHKA 2813/4885CXCR4 345/4885MEN1 4161/4885

“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.