SCHEMBL4378935

SCHEMBL4378935

C=CCN1CCN(C(=O)COc2ccccc2C(C)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
PARP1 P09874 1/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 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
SCHEMBL14218134 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTPARP1KMT2A
SCHEMBL4380515 0.84 KMT2A (0.60) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL4383577 0.82 ALDH1A1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL5061113 0.80 CYP3A4 (0.59) ALDH1A1SMN1; SMN2KMT2ALMNACYP2C9
SCHEMBL4382870 0.80 KMT2A (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL4377393 0.78 MAPK1 (0.54) NPC1ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4378330 0.77 KDM4E (0.63) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4378529 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTPARP1KMT2A
SCHEMBL4383226 0.76 KDM4E (0.62) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL4377239 0.76 MAPK1 (0.67) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT

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 NPC1 1743/4885RAB9A 3209/4885ALDH1A1 1907/4885

“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.