SCHEMBL4380533

SCHEMBL4380533

CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 1.00
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 1/20 0.49

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 SCHEMBL4382157 0.99 HRH3 (1.00) HRH3CTNNB1WNT3AALDH1A1POLB
SCHEMBL4376245 0.90 HRH3 (1.00) HRH3ALDH1A1
Hydrochloric Acid SCHEMBL4378956 0.89 HRH3 (1.00) HRH3ALDH1A1
Hydrochloric Acid SCHEMBL4376182 0.88 HRH3 (0.80) HRH3
SCHEMBL4377916 0.81 HRH3 (0.67) HRH3CTNNB1WNT3AALDH1A1POLB
SCHEMBL13636175 0.81 HRH3 (0.67) HRH3CTNNB1WNT3AALDH1A1POLB
Hydrochloric Acid SCHEMBL4380522 0.80 HRH3 (0.68) HRH3CTNNB1WNT3AALDH1A1POLB
Hydrochloric Acid SCHEMBL4375661 0.80 HRH3 (0.68) HRH3CTNNB1WNT3AALDH1A1POLB
SCHEMBL4386127 0.79 HRH3 (1.00) HRH3POLB
SCHEMBL4378327 0.79 HRH3 (1.00) HRH3

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.