SCHEMBL4378673

SCHEMBL4378673

O=C(Cc1cccc(OC(F)(F)F)c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EPHX1 P07099 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
TSHR P16473 1/20 0.46
RIPK1 Q13546 2/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
ACHE P22303 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL4378669 0.99 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1EPHX1
SCHEMBL3765916 0.92 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1OPRD1
SCHEMBL2833217 0.91 MEN1 (0.52) KDM4EALDH1A1KMT2AMEN1EPHX1
SCHEMBL4380547 0.86 ALDH1A1 (0.64) KDM4EALDH1A1KMT2AHRH3TSHR
SCHEMBL4375759 0.85 ALDH1A1 (0.63) KDM4EALDH1A1KMT2AHRH3TSHR
SCHEMBL14218030 0.81 HSD11B1 (0.60) KDM4EALDH1A1KMT2AMEN1OPRD1
SCHEMBL4976765 0.80 ENPP2 (0.42) KDM4EALDH1A1SIGMAR1RIPK1
SCHEMBL13005973 0.80 KDM4E (0.56) KDM4EALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL3775904 0.78 HRH3 (0.54) KDM4EALDH1A1KMT2AHRH3TSHR
SCHEMBL4375699 0.78 SIGMAR1 (0.52) KMT2AMEN1OPRD1OPRK1SIGMAR1

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 1567/4885ALDH1A1 1907/4885KMT2A 295/4885

“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.