SCHEMBL4377239

SCHEMBL4377239

C=CCN1CCN(C(=O)COc2ccc(OC)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
POLB P06746 3/20 0.61
FKBP1A P62942 1/20 0.61
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX15 P16050 1/20 0.56
TP53 P04637 2/20 0.55
DRD3 P35462 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL4377393 0.88 MAPK1 (0.54) MAPK1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4380513 0.87 FKBP1A (0.61) MAPK1POLBFKBP1AALDH1A1SMN1; SMN2
SCHEMBL4387403 0.84 HRH3 (0.61) MAPK1FKBP1AALDH1A1MEN1LMNA
SCHEMBL10282549 0.83 ACHE (0.72) MAPK1POLBFKBP1AALDH1A1SMN1; SMN2
SCHEMBL4386065 0.82 FKBP1A (0.63) POLBFKBP1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4383159 0.81 NPC1 (0.68) MAPK1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL15134819 0.80 GAA (0.74) MAPK1POLBFKBP1AALDH1A1KDM4E
SCHEMBL4386766 0.80 NPC1 (0.72) MAPK1POLBFKBP1AALDH1A1SMN1; SMN2
SCHEMBL5065732 0.78 GHSR (0.75) MAPK1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL5059344 0.77 SMN1; SMN2 (0.77) MAPK1POLBFKBP1AALDH1A1SMN1; SMN2

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 9 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
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-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
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 MAPK1 3802/4885POLB 3551/4885FKBP1A 1933/4885

“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.