SCHEMBL4382276

SCHEMBL4382276

C=CCN1CCN(C=CC(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 4/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ABCB1 P08183 2/20 0.49
APP P05067 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TNFRSF1A P19438 1/20 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
SCHEMBL4378352 0.82 ALDH1A1 (0.57) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4376027 0.81 NPC1 (0.53) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4379194 0.81 ALDH1A1 (0.59) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL2830259 0.80 NPC1 (0.60) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4382277 0.78 APP (0.77) HPGDSMN1; SMN2APPMEN1KMT2A
SCHEMBL14190950 0.78 APP (0.77) HPGDSMN1; SMN2APPMEN1KMT2A
SCHEMBL4377592 0.74 ALDH1A1 (0.47) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4380884 0.74 ABCG2 (0.51) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL25301594 0.74 APP (0.70) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL340620 0.74 NPC1 (0.75) NPC1MAPTRAB9AHPGDSMN1; SMN2

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 1743/4885USP2 2350/4885ALDH1A1 1907/4885

“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.