SCHEMBL4375397

SCHEMBL4375397

O=C(COc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
HRH3 Q9Y5N1 2/20 0.61
ACHE P22303 8/20 0.55
ALDH1A1 P00352 5/20 0.54
ORAI1 Q96D31 1/20 0.54
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 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
SCHEMBL4375413 0.99 KDM4E (0.67) KDM4EHRH3ACHEALDH1A1ORAI1
SCHEMBL3774733 0.91 KDM4E (0.57) KDM4EHRH3ACHEALDH1A1ORAI1
SCHEMBL2828800 0.90 ACHE (0.67) KDM4EHRH3ACHEALDH1A1SMN1; SMN2
SCHEMBL13636008 0.86 KDM4E (0.50) KDM4EHRH3ACHEALDH1A1ORAI1
SCHEMBL4378928 0.86 KDM4E (0.73) KDM4EACHEALDH1A1ORAI1KMT2A
SCHEMBL4380547 0.85 ALDH1A1 (0.64) KDM4EHRH3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4378521 0.85 KDM4E (0.71) KDM4EACHEALDH1A1ORAI1KMT2A
SCHEMBL4375759 0.84 ALDH1A1 (0.63) KDM4EHRH3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4379135 0.84 ALDH1A1 (0.73) KDM4EACHEALDH1A1ORAI1KMT2A
SCHEMBL17175749 0.84 KDM4E (0.73) KDM4EHRH3ACHEALDH1A1ORAI1

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 8 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
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 KDM4E 1567/4885HRH3 1/4885ACHE 1650/4885

“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.