SCHEMBL4383557

SCHEMBL4383557

C=CCN1CCN(C(=O)CSc2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.76
NPC1 O15118 2/20 0.76
PKM P14618 4/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 3/20 0.51
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
FKBP1A P62942 2/20 0.45
TP53 P04637 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
SCHEMBL4377257 0.81 RAB9A (0.75) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL4378505 0.81 NPC1 (0.57) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL9527356 0.79 RAB9A (0.69) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL4380513 0.76 FKBP1A (0.61) RAB9ANPC1ALDH1A1GAAL3MBTL1
SCHEMBL4377416 0.74 PKM (0.55) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL4378297 0.73 LMNA (0.61) RAB9APKMALDH1A1GAAL3MBTL1
SCHEMBL4377232 0.73 ALDH1A1 (0.54) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL2833292 0.71 L3MBTL1 (0.58) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL24893033 0.71 PKM (0.61) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL4376244 0.70 NPC1 (0.59) RAB9ANPC1ALDH1A1L3MBTL1KMT2A

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 RAB9A 3209/4885NPC1 1743/4885PKM 2476/4885

“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.