SCHEMBL4386766

SCHEMBL4386766

C=CCN1CCN(C(=O)CCCc2ccc(OC)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
SIGMAR1 Q99720 1/20 0.56
FKBP1A P62942 1/20 0.54
DRD2 P14416 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
APP P05067 1/20 0.48
MAPT P10636 1/20 0.48
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
ALOX5 P09917 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47

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
SCHEMBL4386065 0.93 FKBP1A (0.63) NPC1RAB9ASIGMAR1FKBP1ADRD2
SCHEMBL13636235 0.88 NPC1 (0.54) NPC1RAB9ASIGMAR1FKBP1ADRD2
SCHEMBL4378637 0.85 NPC1 (0.64) NPC1RAB9ASIGMAR1SMN1; SMN2KMT2A
SCHEMBL14218056 0.85 SIGMAR1 (0.60) NPC1RAB9ASIGMAR1FKBP1ADRD2
SCHEMBL31329327 0.82 FKBP1A (0.64) SIGMAR1FKBP1ADRD2SMN1; SMN2KMT2A
SCHEMBL31329280 0.82 FKBP1A (0.64) SIGMAR1FKBP1ASMN1; SMN2KMT2AALDH1A1
SCHEMBL31329313 0.81 HPGD (0.66) RAB9ASIGMAR1FKBP1ASMN1; SMN2KMT2A
SCHEMBL31329285 0.81 HPGD (0.66) RAB9ASIGMAR1FKBP1ASMN1; SMN2KMT2A
SCHEMBL4377239 0.80 MAPK1 (0.67) FKBP1ASMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL22952504 0.79 RAB9A (0.56) NPC1RAB9AFKBP1ADRD2SMN1; SMN2

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

“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.