SCHEMBL13636223

SCHEMBL13636223

CCCN1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
GPR183 P32249 4/20 0.52
CCR1 P32246 1/20 0.51
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
F2R P25116 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4377877 1.00 RAB9A (0.67) RAB9AALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL5707120 0.86 GPR183 (0.69) RAB9AALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL5707122 0.86 GPR183 (0.69) RAB9AALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13636352 0.85 MAPT (0.69) RAB9AALDH1A1GAAL3MBTL1LMNA
SCHEMBL4379116 0.85 MAPT (0.69) RAB9AALDH1A1GAAL3MBTL1LMNA
SCHEMBL13636155 0.81 MEN1 (0.57) ALDH1A1GAAL3MBTL1LMNAGPR183
SCHEMBL4376042 0.81 MEN1 (0.57) ALDH1A1GAAL3MBTL1LMNAGPR183
SCHEMBL4382096 0.79 GPR183 (0.72) RAB9AALDH1A1GAAGPR183ITGB2
SCHEMBL13636350 0.79 GPR183 (0.72) RAB9AALDH1A1GAAGPR183ITGB2
SCHEMBL4386030 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAL3MBTL1LMNA

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 RAB9A 3209/4885ALDH1A1 1907/4885SMN1; SMN2 2684/4885

“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.