SCHEMBL4386065

SCHEMBL4386065

C=CCN1CCN(C(=O)CCc2ccc(OC)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.63
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 3/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
KDM4E B2RXH2 1/20 0.54
APP P05067 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 4/20 0.52
PKM P14618 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 3/20 0.51
MAPT P10636 3/20 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
SCHEMBL4386766 0.93 NPC1 (0.72) FKBP1ANPC1RAB9AALDH1A1KMT2A
SCHEMBL4377878 0.86 SIGMAR1 (0.61) FKBP1ANPC1RAB9AALDH1A1KMT2A
SCHEMBL4381831 0.85 RAB9A (0.55) FKBP1ANPC1RAB9AALDH1A1KMT2A
SCHEMBL4377253 0.84 KMT2A (0.58) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL14218027 0.84 FKBP1A (0.69) FKBP1AALDH1A1KMT2ATSHRMEN1
SCHEMBL13636235 0.82 NPC1 (0.54) FKBP1ANPC1RAB9AALDH1A1TSHR
SCHEMBL4377239 0.82 MAPK1 (0.67) FKBP1AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10305162 0.81 FKBP1A (0.76) FKBP1ANPC1ALDH1A1KMT2ATSHR
SCHEMBL4377754 0.81 KDM4E (0.60) NPC1RAB9AALDH1A1KMT2ATSHR
SCHEMBL13636171 0.79 NPC1 (0.58) NPC1RAB9ATSHRAPP

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 1933/4885NPC1 1743/4885RAB9A 3209/4885

“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.