SCHEMBL4383699

SCHEMBL4383699

CCC(CC)N1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FKBP1A P62942 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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 SCHEMBL4378033 0.99 HRH3 (1.00) HRH3KDM4EALDH1A1L3MBTL1FKBP1A
SCHEMBL4375785 0.85 HRH3 (1.00) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4378398 0.84 HRH3 (1.00) HRH3KDM4EALDH1A1
SCHEMBL15134818 0.83 HRH3 (0.71) HRH3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4383596 0.82 HRH3 (1.00) HRH3ALDH1A1MEN1KMT2A
SCHEMBL4375727 0.82 HRH3 (1.00) HRH3
SCHEMBL4377521 0.81 HRH3 (0.69) HRH3ALDH1A1L3MBTL1FKBP1AMEN1
Hydrochloric Acid SCHEMBL4378203 0.81 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4378887 0.81 HRH3 (1.00) HRH3
SCHEMBL10244756 0.81 HRH3 (0.68) HRH3ALDH1A1L3MBTL1FKBP1AMEN1

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 1/4885KDM4E 1567/4885ALDH1A1 1907/4885

“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.