SCHEMBL4383596

SCHEMBL4383596

CCC(CC)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 1.00
EPHX2 P34913 3/20 0.63
LSS P48449 1/20 0.56
HSD11B1 P28845 1/20 0.52
MGLL Q99685 1/20 0.51
CYP3A4 P08684 1/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 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 SCHEMBL4378203 0.99 HRH3 (1.00) HRH3EPHX2LSSHSD11B1MGLL
SCHEMBL4377566 0.85 HRH3 (0.74) HRH3EPHX2HSD11B1MGLLMEN1
SCHEMBL4375727 0.84 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4383232 0.84 HRH3 (0.75) HRH3EPHX2HSD11B1MGLLMEN1
SCHEMBL4386200 0.83 HRH3 (0.71) HRH3EPHX2
Hydrochloric Acid SCHEMBL4378887 0.83 HRH3 (1.00) HRH3
SCHEMBL4386197 0.83 HRH3 (0.71) HRH3EPHX2
Hydrochloric Acid SCHEMBL4382253 0.83 HRH3 (0.72) HRH3EPHX2
Hydrochloric Acid SCHEMBL4382257 0.83 HRH3 (0.72) HRH3EPHX2
SCHEMBL4383699 0.82 HRH3 (1.00) HRH3MEN1KMT2AALDH1A1

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 HRH3 1/4885EPHX2 1038/4885LSS 3419/4885

“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.