SCHEMBL4375426

SCHEMBL4375426

COc1ccc(C(=O)CCC(=O)N2CCN(CC3CC3)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.64
CTNNB1 P35222 3/20 0.51
WNT3A P56704 3/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47

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 SCHEMBL4375730 0.99 HRH3 (0.65) HRH3CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL13636173 0.91 HRH3 (0.60) HRH3ALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL14190971 0.90 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TDP1
SCHEMBL4379469 0.82 HRH3 (0.64) HRH3CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL4388156 0.82 HRH3 (0.64) HRH3CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL4379513 0.81 HRH3 (0.65) HRH3CTNNB1WNT3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4377733 0.81 HRH3 (0.65) HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4384339 0.81 HRH3 (0.65) HRH3CTNNB1WNT3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4377127 0.80 HRH3 (0.67) HRH3CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL4375706 0.80 HRH3 (0.62) HRH3CTNNB1WNT3AALDH1A1KDM4E

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 1/4885CTNNB1 4105/4885WNT3A 3796/4885

“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.