SCHEMBL4375785

SCHEMBL4375785

CCC(CC)N1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
PANK3 Q9H999 1/20 0.55

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 SCHEMBL4378398 0.99 HRH3 (1.00) HRH3KDM4EALDH1A1TP53PANK3
SCHEMBL18705010 0.88 HRH3 (0.78) HRH3KDM4EALDH1A1PANK3
SCHEMBL4383699 0.85 HRH3 (1.00) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4378033 0.84 HRH3 (1.00) HRH3KDM4EALDH1A1
SCHEMBL18389821 0.84 HRH3 (0.72) HRH3KDM4EALDH1A1PANK3
SCHEMBL4388880 0.84 HRH3 (1.00) HRH3KDM4EALDH1A1TP53
SCHEMBL18713212 0.83 HRH3 (0.71) HRH3ALDH1A1PANK3
Hydrochloric Acid SCHEMBL4383019 0.82 HRH3 (1.00) HRH3KDM4EALDH1A1TP53
SCHEMBL4383596 0.82 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4375727 0.82 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 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 1/4885KDM4E 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.