SCHEMBL4378637

SCHEMBL4378637

C=CCN1CCN(C(=O)CCCc2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.47
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GFER P55789 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL4377253 0.93 KMT2A (0.58) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL14218139 0.86 KMT2A (0.56) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL4386766 0.85 NPC1 (0.72) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL4377754 0.81 KDM4E (0.60) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL14218122 0.79 KMT2A (0.62) KMT2AKDM4EMEN1TP53MAPK1
SCHEMBL4386065 0.78 FKBP1A (0.63) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL4375522 0.78 KMT2A (0.62) RAB9AKMT2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL4378950 0.77 KMT2A (0.61) RAB9AKMT2AKDM4EMEN1MAPK1
SCHEMBL4377694 0.77 KMT2A (0.63) NPC1KMT2AKDM4EMEN1HTT
SCHEMBL4384250 0.77 KMT2A (0.64) RAB9AKMT2AMEN1MAPK1ALDH1A1

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 8 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-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 NPC1 1743/4885RAB9A 3209/4885KMT2A 295/4885

“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.