SCHEMBL4379301

SCHEMBL4379301

CCCN1CCN(C=CC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
VCAM1 P19320 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL4382095 0.85 KDM2B (0.50) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL4379024 0.85 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL4377341 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL4384484 0.81 MAPT (0.53) ALDH1A1MAPTNPSR1SMN1; SMN2KMT2A
SCHEMBL4375447 0.79 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL4384007 0.79 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ANPSR1KMT2A
SCHEMBL4376039 0.78 KDM2B (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4379308 0.77 SMN1; SMN2 (0.56) ALDH1A1MAPTRAB9AMITFRECQL
SCHEMBL14190903 0.77 SMN1; SMN2 (0.56) ALDH1A1MAPTRAB9AMITFRECQL
SCHEMBL4377283 0.76 HRH3 (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A

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 1907/4885MAPT 1441/4885RAB9A 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.