SCHEMBL13636006

SCHEMBL13636006

CC(C)N1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 3/20 0.46
GPR183 P32249 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPY1R P25929 1/20 0.44
MAPK1 P28482 1/20 0.44
NPY2R P49146 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL4377275 1.00 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4375435 0.80 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13636493 0.80 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4385602 0.78 NPC1 (0.61) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13636361 0.78 NPC1 (0.61) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13636362 0.78 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4378517 0.78 NPC1 (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4378578 0.78 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13636477 0.78 NPC1 (0.64) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13636004 0.77 KDM4E (0.62) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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 5 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 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

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 KDM4E 1567/4885NPC1 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.