SCHEMBL3032912

SCHEMBL3032912

COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.44
CHRM3 P20309 1/20 0.43
MAPT P10636 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL31688136 1.00 TLR7 (0.44) TLR7CHRM3MAPTP2RX7ALDH1A1
SCHEMBL3038125 0.82 P2RX7 (0.49) CHRM3P2RX7ALDH1A1NPC1RAB9A
SCHEMBL24556440 0.81 TRPV6 (0.45) TLR7ALDH1A1TSHRKMT2AMEN1
SCHEMBL19869925 0.81 TRPV6 (0.45) TLR7ALDH1A1TSHRKMT2AMEN1
SCHEMBL24556578 0.81 TRPV6 (0.45) TLR7ALDH1A1TSHRKMT2AMEN1
SCHEMBL19869968 0.81 TRPV6 (0.45) TLR7ALDH1A1TSHRKMT2AMEN1
SCHEMBL19869915 0.81 TRPV6 (0.45) TLR7ALDH1A1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL19857668 0.80 TRPV6 (0.44) TLR7ALDH1A1
Hydrochloric Acid SCHEMBL19857627 0.80 TRPV6 (0.44) TLR7ALDH1A1
SCHEMBL3037065 0.78 P2RX7 (0.49) TLR7CHRM3P2RX7ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S TLR7 592/4885CHRM3 422/4885MAPT 4254/4885

“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.