SCHEMBL4377632

SCHEMBL4377632

COc1ccc(OCC(=O)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.75
POLB P06746 2/20 0.67
MAPT P10636 3/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.64
FKBP1A P62942 1/20 0.64
HTT P42858 2/20 0.60
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LDHA P00338 1/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL4384247 0.88 HRH3 (0.66) MAPK1POLBMAPTALDH1A1GAA
SCHEMBL4379155 0.87 ENPP2 (0.67) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1283182 0.85 ME2 (0.56) MAPK1POLBMAPTKMT2AMEN1
SCHEMBL4376118 0.84 HRH3 (0.60) MAPK1POLBMAPTHTTTSHR
SCHEMBL4375389 0.82 FKBP1A (0.65) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL4375414 0.82 TSHR (0.70) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4377409 0.81 MEN1 (0.75) MAPK1POLBMAPTKMT2AMEN1
SCHEMBL4377913 0.81 ALDH1A1 (0.59) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL15134819 0.79 GAA (0.74) MAPK1POLBMAPTKMT2AMEN1
SCHEMBL7402423 0.79 USP2 (0.54) MAPK1POLBMAPTKMT2AMEN1

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 MAPK1 3802/4885POLB 3551/4885MAPT 1441/4885

“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.