SCHEMBL4386030

SCHEMBL4386030

CCCN1CCN(C(=O)C=Cc2cc([N+](=O)[O-])ccc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 3/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GPR183 P32249 2/20 0.45
F2R P25116 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
SCHEMBL14190912 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL4379255 0.83 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL14190902 0.83 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL4379308 0.82 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL14190903 0.82 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL4379116 0.80 MAPT (0.69) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL13636352 0.80 MAPT (0.69) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL13636224 0.79 KMT2A (0.83) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL4384009 0.79 KMT2A (0.83) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL13636223 0.78 RAB9A (0.67) ALDH1A1SMN1; SMN2KMT2AL3MBTL1LMNA

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 1907/4885SMN1; SMN2 2684/4885KMT2A 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.