SCHEMBL4391684

SCHEMBL4391684

CN(C)C(=O)Oc1ccc(CCC(=O)N2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 2/20 0.72
TSHR P16473 1/20 0.72
L3MBTL3 Q96JM7 1/20 0.51
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
FKBP1A P62942 1/20 0.46
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4380538 0.99 ALDH1A1 (0.74) ALDH1A1KMT2ATSHRL3MBTL3KDM4E
SCHEMBL2833288 0.91 L3MBTL3 (0.60) ALDH1A1KMT2ATSHRL3MBTL3FKBP1A
SCHEMBL13636494 0.89 ALDH1A1 (0.69) ALDH1A1KMT2ATSHRL3MBTL3KDM4E
SCHEMBL4383272 0.85 ALDH1A1 (0.98) ALDH1A1KMT2ATSHRL3MBTL3KDM4E
SCHEMBL4384079 0.84 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRL3MBTL3KDM4E
SCHEMBL14218117 0.81 GAA (0.53) ALDH1A1KMT2ATSHRRAB9AFKBP1A
SCHEMBL4378477 0.78 ALDH1A1 (0.84) ALDH1A1KMT2ATSHRKDM4ERAB9A
SCHEMBL4381831 0.78 RAB9A (0.55) ALDH1A1KMT2ATSHRRAB9AFKBP1A
SCHEMBL4379159 0.77 ALDH1A1 (0.87) ALDH1A1KMT2ATSHRKDM4ERAB9A
Hydrochloric Acid SCHEMBL4379167 0.77 ALDH1A1 (0.83) ALDH1A1KMT2ATSHRKDM4ERAB9A

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 8 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-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 1907/4885KMT2A 295/4885TSHR 621/4885

“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.