SCHEMBL4384007

SCHEMBL4384007

CCCN1CCN(C=CC(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.42
CTSD P07339 1/20 0.41
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ATM Q13315 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL2904033 0.86 SIGMAR1 (0.54) KMT2AMEN1HTTSIGMAR1ABCB1
SCHEMBL2903285 0.83 LMNA (0.50) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL2910357 0.82 SMN1; SMN2 (0.52) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL2906383 0.82 MAPT (0.53) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL4379001 0.81 MAOB (0.45) ALDH1A1LMNAKMT2AMEN1AR
SCHEMBL4375991 0.81 GPR52 (0.44) ALDH1A1KMT2AMEN1HTTSIGMAR1
SCHEMBL4377361 0.80 KMT2A (0.46) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL4379112 0.80 P2RX7 (0.53) ALDH1A1LMNAKDM4EMAPTSIGMAR1
SCHEMBL2908214 0.80 ALDH1A1 (0.47) ALDH1A1LMNAHTT
SCHEMBL2902110 0.80 HTT (0.43) ALDH1A1LMNAKMT2AHTTKDM4E

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 4 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

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 ALDH1A1 1907/4885LMNA 4304/4885KMT2A 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.