SCHEMBL18315883

SCHEMBL18315883

NC(=O)N(CCCn1ccnc1)c1ccccc1CN1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
HMOX1 P09601 1/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
QPCT Q16769 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL22468165 0.88 HRH3 (0.47) HRH3HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL22468169 0.84 HRH3 (0.49) HRH3NPC1RAB9ALMNATP53
SCHEMBL16566705 0.83 HRH3 (0.56) HRH3NPC1RAB9AFAAHTP53
SCHEMBL14935322 0.83 HRH3 (0.56) HRH3NPC1RAB9AFAAHTP53
SCHEMBL14935135 0.81 HRH3 (0.54) HRH3NPC1RAB9AFAAHLMNA
SCHEMBL3036065 0.79 QPCT (0.55) HRH3HMOX1QPCTFAAHLMNA
SCHEMBL3032094 0.77 QPCT (0.64) HRH3HMOX1QPCTFAAHLMNA
SCHEMBL16566810 0.75 HRH3 (0.58) HRH3NPC1RAB9AFAAHTP53
SCHEMBL3030694 0.74 QPCT (0.57) HRH3QPCTFAAHLMNA
SCHEMBL16567294 0.73 HRH3 (0.60) HRH3NPC1RAB9AFAAHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1976828-B1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-12-21 EP 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 (2 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-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HRH3 21/4885HMOX1 2757/4885CYP19A1 612/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885HMOX1 2757/4885CYP19A1 612/4885

“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.