SCHEMBL4377435

SCHEMBL4377435

C=CCN1CCN(C(=O)CCc2ccccc2OC)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
SIGMAR1 Q99720 3/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL14218028 0.85 KMT2A (0.76) KMT2AMEN1SIGMAR1KDM4EALOX15
SCHEMBL22813637 0.82 KMT2A (0.69) KMT2AMEN1SIGMAR1NPC1KDM4E
SCHEMBL8328272 0.81 KMT2A (0.67) KMT2AMEN1SIGMAR1NPC1RAB9A
SCHEMBL4377253 0.80 KMT2A (0.58) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL8328048 0.79 KMT2A (0.68) KMT2AMEN1SIGMAR1KDM4ECHRM2
SCHEMBL4377754 0.79 KDM4E (0.60) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL4386065 0.78 FKBP1A (0.63) KMT2AMEN1SIGMAR1NPC1RAB9A
SCHEMBL4377878 0.77 SIGMAR1 (0.61) KMT2AMEN1SIGMAR1NPC1RAB9A
SCHEMBL4378376 0.76 KMT2A (0.63) KMT2AMEN1SIGMAR1RAB9AKDM4E
SCHEMBL4378637 0.76 NPC1 (0.64) KMT2AMEN1SIGMAR1NPC1RAB9A

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 9 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
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-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US 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-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 KMT2A 295/4885MEN1 2570/4885SIGMAR1 237/4885

“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.