SCHEMBL4382306

SCHEMBL4382306

O=C(CCC(=O)N1CCN(c2ccncc2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ GAA P10253 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 2/20 0.54
▸ SLC6A7 Q99884 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ USP2 O75604 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTR1A P08908 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ MMP2 P08253 1/20 0.50

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 SCHEMBL4377741 0.99 MAPT (0.54) MAPTGAAMEN1KMT2APOLB
SCHEMBL4383007 0.92 MAPT (0.58) MAPTGAAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4376006 0.91 MAPT (0.57) MAPTGAAMEN1KMT2APOLB
SCHEMBL3083321 0.83 MAPT (0.71) MAPTGAAMEN1KMT2APOLB
SCHEMBL3573771 0.82 SLC6A7 (0.81) MEN1KMT2APOLBSLC6A7USP2
SCHEMBL4375739 0.81 MAPT (0.64) MAPTMEN1KMT2APOLBSLC6A7
SCHEMBL7368202 0.80 ITGB3 (0.67) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3090713 0.80 POLB (0.77) MAPTGAAPOLBLMNANPSR1
SCHEMBL13801421 0.77 MAPT (0.58) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL14218065 0.77 SMN1; SMN2 (0.62) MAPTMEN1KMT2ALMNASMN1; 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 7 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-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 MAPT 1441/4885GAA 2830/4885MEN1 2570/4885

“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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