SCHEMBL3045900

SCHEMBL3045900

c1ccc(COc2ccc(CN3CCCNCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.66
NPC1 O15118 3/20 0.63
TP53 P04637 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CXCR4 P61073 7/20 0.62
SIGMAR1 Q99720 1/20 0.62
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

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
SCHEMBL14859644 0.94 SIGMAR1 (0.70) HRH3NPC1TP53MEN1KMT2A
SCHEMBL31484892 0.87 HRH3 (0.78) HRH3NPC1TP53MEN1KMT2A
SCHEMBL7811609 0.86 NPC1 (0.78) HRH3NPC1TP53MEN1KMT2A
SCHEMBL255099 0.85 SIGMAR1 (0.85) HRH3MEN1KMT2AALDH1A1CXCR4
SCHEMBL10316935 0.85 SIGMAR1 (0.85) HRH3MEN1KMT2AALDH1A1CXCR4
SCHEMBL1143656 0.84 NPC1 (0.85) HRH3NPC1TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL7422770 0.84 SIGMAR1 (0.82) HRH3MEN1KMT2AALDH1A1CXCR4
SCHEMBL31616422 0.84 SIGMAR1 (0.82) HRH3MEN1KMT2AALDH1A1CXCR4
SCHEMBL2232053 0.83 HRH3 (0.63) HRH3NPC1TP53MEN1KMT2A
SCHEMBL3994310 0.82 CXCR4 (0.83) HRH3MEN1KMT2AALDH1A1CXCR4

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 19 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
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
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
EP-1140880-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039110-A1 HOMOPIPERAZINE DERIVATIVES AS SELECTIVE EMOPAMIL INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 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 (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 HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885TP53 2828/4885

“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.