SCHEMBL4386067

SCHEMBL4386067

CCCN1CCN(C(=O)COc2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.63
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 4/20 0.56
THRB P10828 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.55
ENPP2 Q13822 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL13926093 0.88 POLB (0.68) ALDH1A1SMN1; SMN2POLBTHRBMEN1
SCHEMBL1730431 0.87 FKBP1A (0.79) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL15134808 0.86 L3MBTL1 (0.70) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL4377521 0.86 HRH3 (0.69) FKBP1AALDH1A1SMN1; SMN2POLBTHRB
SCHEMBL5059273 0.81 CYP3A4 (0.69) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL5059586 0.81 CYP3A4 (0.69) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL4380513 0.80 FKBP1A (0.61) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7323131 0.80 FKBP1A (0.61) FKBP1AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL6280299 0.80 NPC1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10244845 0.80 FKBP1A (0.64) FKBP1AALDH1A1SMN1; SMN2POLBMEN1

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 FKBP1A 1933/4885ALDH1A1 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.