SCHEMBL4387403

SCHEMBL4387403

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FKBP1A P62942 1/20 0.45
KCNA5 P22460 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL4380513 0.86 FKBP1A (0.61) KMT2AMEN1LMNAMAPK1TSHR
SCHEMBL4377575 0.85 HRH3 (0.61) HRH3KMT2AMEN1LMNATSHR
SCHEMBL4377239 0.84 MAPK1 (0.67) KMT2AMEN1LMNAMAPK1ALDH1A1
SCHEMBL4377393 0.82 MAPK1 (0.54) KMT2AMEN1LMNAMAPK1TSHR
SCHEMBL4377521 0.81 HRH3 (0.69) HRH3KMT2AMEN1LMNAMDH1
SCHEMBL15134818 0.81 HRH3 (0.71) HRH3KMT2AMEN1ALDH1A1
SCHEMBL5065996 0.79 LMNA (0.65) HRH3KMT2AMEN1LMNATSHR
SCHEMBL10244756 0.79 HRH3 (0.68) HRH3KMT2AMEN1TSHRTPSAB1
SCHEMBL656497 0.78 TPSAB1 (0.70) HRH3KMT2AMEN1LMNATPSAB1
SCHEMBL4383159 0.78 NPC1 (0.68) KMT2AMEN1LMNAMAPK1NPC1

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 8 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
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 HRH3 1/4885KMT2A 295/4885MEN1 2570/4885

“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.