SCHEMBL4375699

SCHEMBL4375699

C=CCN1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HRH3 Q9Y5N1 2/20 0.46
RIPK1 Q13546 2/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
GAA P10253 1/20 0.43
PANK3 Q9H999 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL4377575 0.86 HRH3 (0.61) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL14218030 0.85 HSD11B1 (0.60) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL4378673 0.78 KDM4E (0.62) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL3765916 0.77 KDM4E (0.53) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL4383720 0.77 PANK3 (0.48) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL4378669 0.77 KDM4E (0.61) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL4387403 0.77 HRH3 (0.61) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL2833217 0.76 MEN1 (0.52) SIGMAR1MEN1KMT2AHRH3RIPK1
SCHEMBL4377878 0.74 SIGMAR1 (0.61) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL30387007 0.74 MGLL (0.57) MEN1KMT2ALMNADRD2DRD4

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 9 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-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 SIGMAR1 237/4885NPC1 1743/4885RAB9A 3209/4885

“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.