SCHEMBL4377575

SCHEMBL4377575

C=CCN1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
PANK3 Q9H999 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.46
LSS P48449 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TEAD1 P28347 1/20 0.45
CDK8 P49336 1/20 0.44
NTRK3 Q16288 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CCR5 P51681 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4375699 0.86 SIGMAR1 (0.52) HRH3PANK3NPC1RAB9AKMT2A
SCHEMBL4387403 0.85 HRH3 (0.61) HRH3NPC1RAB9AKMT2AMEN1
SCHEMBL18389821 0.84 HRH3 (0.72) HRH3PANK3SMN1; SMN2MAPTLSS
SCHEMBL18713212 0.81 HRH3 (0.71) HRH3PANK3SMN1; SMN2MAPTKMT2A
SCHEMBL19506302 0.80 HRH3 (0.67) HRH3PANK3SMN1; SMN2NPC1MAPT
SCHEMBL17338907 0.78 HRH3 (0.64) HRH3PANK3SMN1; SMN2MAPTKMT2A
SCHEMBL18705010 0.78 HRH3 (0.78) HRH3PANK3SMN1; SMN2MAPTALDH1A1
SCHEMBL16828777 0.77 HRH3 (0.62) HRH3PANK3SMN1; SMN2NTRK3
SCHEMBL2157561 0.77 KCNA5 (0.57) HRH3PANK3
SCHEMBL4380547 0.76 ALDH1A1 (0.64) HRH3PANK3SMN1; SMN2MAPTKMT2A

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 HRH3 1/4885PANK3 2534/4885SMN1; SMN2 2684/4885

“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.