SCHEMBL4383715

SCHEMBL4383715

CCCN1CCN(C=CC(=O)c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
THRB P10828 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
POLB P06746 2/20 0.40
DRD3 P35462 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL4376217 0.85 MAPT (0.45) USP2ALDH1A1MAPTALOX12NPC1
SCHEMBL4375904 0.85 CYP1A1 (0.48) ALDH1A1MAPTNPC1RAB9AGPR52
SCHEMBL4377310 0.84 RAB9A (0.60) HTTUSP2ALDH1A1MAPTALOX12
SCHEMBL4383186 0.84 TSHR (0.45) USP2ALDH1A1MAPTALOX12NPC1
SCHEMBL4375406 0.82 ALDH1A1 (0.49) HTTUSP2ALDH1A1MAPTALOX12
SCHEMBL4377341 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKMT2ASMN1; SMN2CYP1B1
SCHEMBL4382095 0.78 KDM2B (0.50) USP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4377283 0.78 HRH3 (0.50) USP2ALDH1A1MAPTALOX12NPC1
SCHEMBL4380698 0.78 DRD2 (0.51) USP2ALDH1A1MAPTNPC1DRD3
SCHEMBL4376039 0.77 KDM2B (0.51) HTTTHRBALDH1A1MAPTPOLB

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 HTT 360/4885THRB 1070/4885USP2 2350/4885

“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.