SCHEMBL4378386

SCHEMBL4378386

O=C(C=Cc1ccc(OCc2ccc(F)cc2)cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
ACHE P22303 1/20 0.50
F10 P00742 2/20 0.49
F2 P00734 1/20 0.49
ELANE P08246 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ME2 P23368 1/20 0.47

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
SCHEMBL13636011 1.00 GSK3B (0.52) GSK3BBACE1ALDH1A1LMNATP53
SCHEMBL4378382 0.78 HRH3 (0.53) F10F2ELANEHRH3MAOB
SCHEMBL4379155 0.75 ENPP2 (0.67) ALDH1A1LMNATP53NPSR1GAA
SCHEMBL4376030 0.74 APP (0.74) ACHEMEN1KMT2AMAOBSMN1; SMN2
SCHEMBL14190919 0.74 APP (0.74) ACHEMEN1KMT2AMAOBSMN1; SMN2
SCHEMBL13959042 0.74 ACHE (0.55) ALDH1A1LMNATP53ACHENPSR1
SCHEMBL19385764 0.73 MAPT (0.77) ALDH1A1LMNATP53GAAKMT2A
SCHEMBL14252800 0.73 ME2 (0.78) ALDH1A1LMNATP53ACHENPSR1
SCHEMBL3765334 0.73 ALDH1A1 (0.47) GSK3BBACE1ALDH1A1LMNATP53
SCHEMBL3765327 0.73 ALDH1A1 (0.47) GSK3BBACE1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 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 (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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 GSK3B 3944/4885BACE1 1494/4885ALDH1A1 1907/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 GSK3B 3944/4885BACE1 1494/4885ALDH1A1 1907/4885

“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.