SCHEMBL13636155

SCHEMBL13636155

CCCN1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.55
ACHE P22303 1/20 0.55
GPR183 P32249 4/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50

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
SCHEMBL4376042 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4380701 0.86 GPR183 (0.55) MEN1KMT2AALDH1A1ACHEGPR183
SCHEMBL13636348 0.86 GPR183 (0.55) MEN1KMT2AALDH1A1ACHEGPR183
SCHEMBL13636350 0.84 GPR183 (0.72) MEN1KMT2AALDH1A1GAAGPR183
SCHEMBL4382096 0.84 GPR183 (0.72) MEN1KMT2AALDH1A1GAAGPR183
SCHEMBL5479884 0.83 ALDH1A1 (0.61) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5479879 0.83 ALDH1A1 (0.61) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL11618537 0.82 CYP1A2 (0.66) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL11618539 0.82 CYP1A2 (0.66) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2904467 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAGAA

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 5 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 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

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 MEN1 2570/4885KMT2A 295/4885ALDH1A1 1907/4885

“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.