SCHEMBL13636365

SCHEMBL13636365

COc1ccc(/C=C/C(=O)N2CCN(C3CCCC3)CC2)c(Cl)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ITGAL P20701 3/20 0.47
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4377227 1.00 HPGD (0.47) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL14190928 0.99 HCAR2 (0.48) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL4382018 0.99 HCAR2 (0.48) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL2833140 0.92 HPGD (0.50) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL3765817 0.90 ITGB2 (0.42) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL3765820 0.90 ITGB2 (0.42) HPGDITGALITGB2ICAM1HCAR2
SCHEMBL14190940 0.85 KMT2A (0.61) HPGDKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL4382984 0.85 KMT2A (0.61) HPGDKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL14190925 0.84 KMT2A (0.60) HPGDKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL4386306 0.84 KMT2A (0.60) HPGDKDM4EKMT2AMAPTSMN1; SMN2

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 5 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 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 HPGD 646/4885ITGAL 4535/4885ITGB2 4284/4885

“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.