SCHEMBL16566705

SCHEMBL16566705

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
FAAH O00519 1/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL14935135 0.97 HRH3 (0.54) HRH3NPC1RAB9AFAAHTP53
SCHEMBL14935322 0.93 HRH3 (0.56) HRH3NPC1RAB9AFAAHTP53
SCHEMBL16567294 0.88 HRH3 (0.60) HRH3NPC1RAB9AFAAHTP53
SCHEMBL22468169 0.86 HRH3 (0.49) HRH3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL16566696 0.85 HRH3 (0.56) HRH3NPC1RAB9AFAAHTP53
SCHEMBL18315883 0.83 HRH3 (0.47) HRH3NPC1RAB9AFAAHTP53
SCHEMBL16566810 0.83 HRH3 (0.58) HRH3NPC1RAB9AFAAHTP53
SCHEMBL16566761 0.80 HRH3 (0.54) HRH3NPC1RAB9AFAAHTP53
SCHEMBL7811609 0.77 NPC1 (0.78) HRH3NPC1RAB9AFAAHTP53
SCHEMBL3039278 0.76 HRH3 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S HRH3 21/4885NPC1 1157/4885RAB9A 1265/4885

“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.