SCHEMBL4375759

SCHEMBL4375759

O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 3/20 0.63
HRH3 Q9Y5N1 6/20 0.60
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
PANK3 Q9H999 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
LIPE Q05469 1/20 0.47
EPHX2 P34913 1/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.44
NTRK1 P04629 1/20 0.44
KCNH2 Q12809 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL4380547 0.99 ALDH1A1 (0.64) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL3775904 0.90 HRH3 (0.54) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL2836399 0.89 HRH3 (0.58) ALDH1A1KDM4EHRH3PANK3SMN1; SMN2
SCHEMBL4378669 0.86 KDM4E (0.61) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL4375413 0.86 KDM4E (0.67) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL4378673 0.85 KDM4E (0.62) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL19506302 0.85 HRH3 (0.67) HRH3KMT2APANK3SMN1; SMN2LIPE
SCHEMBL4375397 0.84 KDM4E (0.68) ALDH1A1KDM4EHRH3TSHRKMT2A
SCHEMBL16828777 0.81 HRH3 (0.62) HRH3PANK3SMN1; SMN2LIPEEPHX2
SCHEMBL18713212 0.80 HRH3 (0.71) ALDH1A1HRH3KMT2APANK3SMN1; SMN2

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
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-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 ALDH1A1 1907/4885KDM4E 1567/4885HRH3 1/4885

“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.