SCHEMBL5465962

SCHEMBL5465962

O=C(NCCCN1CCCCC1)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.74
▸ DRD2 P14416 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ LMNA P02545 7/20 0.55
▸ GAA P10253 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PYGL P06737 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5465957 1.00 HTT (0.74) HTTDRD2DRD3LMNAGAA
SCHEMBL5457536 0.80 DRD2 (0.60) DRD2DRD3ALDH1A1MAPTMAPK1
SCHEMBL14559603 0.80 HTT (0.64) HTTLMNAGAASMN1; SMN2ALDH1A1
Oxalic Acid SCHEMBL8813161 0.78 LTA4H (0.65) DRD2DRD3LMNAGAASMN1; SMN2
Oxalic Acid SCHEMBL8813154 0.78 LTA4H (0.65) DRD2DRD3LMNAGAASMN1; SMN2
SCHEMBL10869289 0.76 MAPK1 (0.73) HTTLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2361183 0.76 LTA4H (0.75) HTTDRD2DRD3LMNAGAA
SCHEMBL18085064 0.76 LTA4H (0.75) HTTDRD2DRD3LMNAGAA
SCHEMBL9371983 0.76 LTA4H (0.75) HTTDRD2DRD3LMNAGAA
SCHEMBL13803755 0.76 LMNA (0.84) HTTLMNAGAASMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 — — 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-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 HTT 712/4885DRD2 34/4885DRD3 78/4885

“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.

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