SCHEMBL4378514

SCHEMBL4378514

C=CCN1CCN(C=CC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.45
TGM2 P21980 2/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4375430 0.82 HRH3 (0.48) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL4377900 0.81 HRH3 (0.52) GPR52MEN1KMT2AHRH3GCGR
SCHEMBL4378981 0.78 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4377273 0.77 GPR52 (0.44) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL4378574 0.75 GAA (0.53) GPR52MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4376221 0.74 GAA (0.52) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL4375865 0.74 ALDH1A1 (0.50) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL4384264 0.74 GAA (0.52) GPR52MEN1KMT2AALDH1A1KDM4E
SCHEMBL11527779 0.72 NR4A1 (0.63) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL2829562 0.72 GAA (0.53) GPR52MAPTMEN1KMT2AALDH1A1

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 4 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-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 GPR52 50/4885TGM2 2652/4885MAPT 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.