SCHEMBL4380561

SCHEMBL4380561

CCC(CC)N1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.60
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.48

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 SCHEMBL4383422 0.99 HRH3 (0.61) HRH3ALDH1A1KDM4ETP53HTT
SCHEMBL4383222 0.79 HRH3 (0.64) HRH3ALDH1A1KDM4ETP53KMT2A
SCHEMBL4376825 0.78 HRH3 (0.46) HRH3ALDH1A1KDM4EHTTTDP1
Hydrochloric Acid SCHEMBL4378288 0.78 HRH3 (0.65) HRH3ALDH1A1KDM4ETP53KMT2A
Hydrochloric Acid SCHEMBL4377577 0.78 HRH3 (0.47) HRH3
SCHEMBL14190970 0.77 HRH3 (0.62) HRH3ALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL4384126 0.76 HRH3 (0.63) HRH3ALDH1A1KDM4ETP53
SCHEMBL4375721 0.76 HRH3 (1.00) HRH3ALDH1A1KDM4ETP53
SCHEMBL4528485 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL6271302 0.74 POLB (0.66) ALDH1A1KDM4ETDP1MEN1POLB

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 6 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-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 HRH3 1/4885ALDH1A1 1907/4885KDM4E 1567/4885

“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.