SCHEMBL4386342

SCHEMBL4386342

O=C(CCn1c(=O)oc2ccccc21)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.75
▸ CBX7 O95931 3/20 0.67
▸ CDYL2 Q8N8U2 3/20 0.67
▸ CDYL Q9Y232 3/20 0.67
▸ CDY1; CDY1B Q9Y6F8 2/20 0.67
▸ TSHR P16473 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ GAA P10253 2/20 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
▸ MAPT P10636 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ATM Q13315 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL4379269 0.99 ALDH1A1 (0.73) ALDH1A1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4385817 0.92 ALDH1A1 (0.63) ALDH1A1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL2829735 0.90 CDYL2 (0.80) ALDH1A1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL12124515 0.83 — —
SCHEMBL13779939 0.83 ALDH1A1 (0.79) ALDH1A1TSHRL3MBTL1GAAUSP2
SCHEMBL14722754 0.82 CDYL (0.66) ALDH1A1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL12124510 0.81 — —
SCHEMBL12124405 0.81 — —
SCHEMBL12124415 0.80 — —
SCHEMBL12124511 0.80 — —

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
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

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 1907/4885CBX7 495/4885CDYL2 1095/4885

“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.

Send feedback