SCHEMBL4386911

SCHEMBL4386911

O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.70
▸ ALDH1A1 P00352 6/20 0.68
▸ GAA P10253 3/20 0.68
▸ MAPT P10636 2/20 0.68
▸ ATM Q13315 1/20 0.68
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ NPC1 O15118 2/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ POLB P06746 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.57
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ HTR1A P08908 4/20 0.55

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
Hydrochloric Acid SCHEMBL4380692 0.99 TSHR (0.69) TSHRALDH1A1GAAMAPTATM
SCHEMBL13636228 0.89 GAA (0.57) TSHRALDH1A1GAAMAPTATM
SCHEMBL13779939 0.83 ALDH1A1 (0.79) TSHRALDH1A1GAAMAPTATM
SCHEMBL4381097 0.77 ALDH1A1 (0.69) TSHRALDH1A1GAAMAPTATM
SCHEMBL4379269 0.77 ALDH1A1 (0.73) TSHRALDH1A1GAAMAPTATM
SCHEMBL4386342 0.76 ALDH1A1 (0.75) TSHRALDH1A1GAAMAPTATM
SCHEMBL2829735 0.75 CDYL2 (0.80) TSHRALDH1A1GAAMAPTMEN1
SCHEMBL13801421 0.73 MAPT (0.58) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL13779980 0.72 ALDH1A1 (0.81) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL2008321 0.71 MAPK1 (0.75) TSHRALDH1A1MAPTMEN1KMT2A

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 6 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-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

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 TSHR 621/4885ALDH1A1 1907/4885GAA 2830/4885

“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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