SCHEMBL4375389

SCHEMBL4375389

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.65
ALDH1A1 P00352 6/20 0.62
MAPT P10636 5/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ME2 P23368 2/20 0.62
ME1 P48163 2/20 0.62
ME3 Q16798 2/20 0.62
GAA P10253 1/20 0.62
POLB P06746 2/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
GFER P55789 2/20 0.58
TSHR P16473 1/20 0.58
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
SCHEMBL4377913 0.93 ALDH1A1 (0.59) FKBP1AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4378642 0.86 L3MBTL1 (0.57) ALDH1A1MAPTLMNAME2ME1
SCHEMBL4378969 0.85 ME2 (0.53) FKBP1AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2824010 0.85 MEN1 (0.72) FKBP1AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4375437 0.85 KMT2A (0.72) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL4377632 0.82 MAPK1 (0.75) FKBP1AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4377690 0.82 KMT2A (0.72) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL4375445 0.81 HRH3 (0.60) ALDH1A1MAPTSMN1; SMN2ME2ME1
SCHEMBL10305162 0.80 FKBP1A (0.76) FKBP1AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7369347 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2GAA

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 1907/4885MAPT 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.