SCHEMBL4377253

SCHEMBL4377253

C=CCN1CCN(C(=O)CCc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GFER P55789 1/20 0.47
MC4R P32245 1/20 0.47
MMP2 P08253 1/20 0.47
ANPEP P15144 1/20 0.47
FAAH O00519 1/20 0.46
POLB P06746 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
SCHEMBL4378637 0.93 NPC1 (0.64) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL4377754 0.87 KDM4E (0.60) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL14218122 0.85 KMT2A (0.62) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL4386065 0.84 FKBP1A (0.63) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL4377878 0.83 SIGMAR1 (0.61) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL13636171 0.81 NPC1 (0.58) NPC1RAB9A
SCHEMBL4377435 0.80 KMT2A (0.61) KMT2ANPC1RAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL27435595 0.80 SIGMAR1 (0.67) GAAPOLB
SCHEMBL14218139 0.79 KMT2A (0.56) KMT2AKDM4EMEN1TP53MAPK1
Hydrochloric Acid SCHEMBL27433739 0.78 KMT2A (0.65) KMT2AKDM4EMEN1TP53MAPK1

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 295/4885NPC1 1743/4885RAB9A 3209/4885

“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.