SCHEMBL4378642

SCHEMBL4378642

COc1cccc(CCC(=O)N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ROCK2 O75116 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 2/20 0.52
F10 P00742 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MC4R P32245 1/20 0.51
GAA P10253 1/20 0.51
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
LMNA P02545 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
GFER P55789 1/20 0.50
MAPT P10636 1/20 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
SCHEMBL23009037 0.88 ME2 (0.68) L3MBTL1SIGMAR1POLBKMT2AMEN1
SCHEMBL4375389 0.86 FKBP1A (0.65) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL4375437 0.83 KMT2A (0.72) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8326447 0.82 SIGMAR1 (0.66) SIGMAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL22813680 0.82 SIGMAR1 (0.62) L3MBTL1SIGMAR1ALDH1A1KDM4E
SCHEMBL13636226 0.81 ME2 (0.50) L3MBTL1ROCK2KMT2AMEN1ALDH1A1
SCHEMBL8324239 0.81 FKBP1A (0.72) L3MBTL1SIGMAR1POLBKMT2AMEN1
SCHEMBL4377690 0.81 KMT2A (0.72) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL14218060 0.80 SIGMAR1 (0.67) L3MBTL1SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL4377913 0.80 ALDH1A1 (0.59) L3MBTL1POLBKMT2AMEN1ALDH1A1

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 L3MBTL1 4039/4885ROCK2 4139/4885SIGMAR1 237/4885

“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.