SCHEMBL4376027

SCHEMBL4376027

COc1cc(C(=O)C=CN2CCN(c3ccncc3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 4/20 0.51
TNFRSF1A P19438 4/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
APP P05067 3/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F10 P00742 2/20 0.46

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
SCHEMBL4391635 0.89 NPC1 (0.43) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4382276 0.81 NPC1 (0.55) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4378352 0.80 ALDH1A1 (0.57) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4379194 0.80 ALDH1A1 (0.59) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4376030 0.79 APP (0.74) KDM4EHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL14190919 0.79 APP (0.74) KDM4EHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2830259 0.79 NPC1 (0.60) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4378526 0.77 ROCK2 (0.51) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4377394 0.76 ALDH1A1 (0.51) NPC1ALDH1A1MAPTMAPK1USP2
SCHEMBL4376233 0.76 TSHR (0.51) NPC1ALDH1A1MAPTMAPK1USP2

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 NPC1 1743/4885ALDH1A1 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.