SCHEMBL4383577

SCHEMBL4383577

C=CCN1CCN(C(=O)COc2cccc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 6/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HTT P42858 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TSHR P16473 3/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NPC1 O15118 2/20 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
SCHEMBL27979632 0.87 ALDH1A1 (0.82) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL14218031 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL4378935 0.82 NPC1 (0.51) ALDH1A1MAPTLMNAHTTTSHR
SCHEMBL5135579 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL4380515 0.81 KMT2A (0.60) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL4382870 0.81 KMT2A (0.54) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL4383159 0.80 NPC1 (0.68) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL5060064 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL17940608 0.79 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL1374171 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTLMNAHSD17B10

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 ALDH1A1 1907/4885KDM4E 1567/4885MAPT 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.