SCHEMBL4381097

SCHEMBL4381097

C=CCN1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ TSHR P16473 2/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ GAA P10253 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ POLB P06746 2/20 0.63
▸ MAPT P10636 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ KMT2A Q03164 1/20 0.57
▸ ATM Q13315 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ SMN1; SMN2 Q16637 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
SCHEMBL13779939 0.83 ALDH1A1 (0.79) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL4379269 0.78 ALDH1A1 (0.73) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL4386911 0.77 TSHR (0.70) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL4386342 0.77 ALDH1A1 (0.75) ALDH1A1TSHRL3MBTL1GAAHTT
Hydrochloric Acid SCHEMBL4380692 0.76 TSHR (0.69) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL2829735 0.76 CDYL2 (0.80) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL12124768 0.73 DRD2 (0.75) —
SCHEMBL13779980 0.72 ALDH1A1 (0.81) ALDH1A1TSHRL3MBTL1GAAHTT
SCHEMBL2008321 0.72 MAPK1 (0.75) ALDH1A1TSHRL3MBTL1USP2LMNA
Benzene SCHEMBL7861838 0.72 MAPK1 (0.75) ALDH1A1TSHRL3MBTL1USP2LMNA

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 9 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
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 1907/4885TSHR 621/4885L3MBTL1 4039/4885

“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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