SCHEMBL4385602

SCHEMBL4385602

CCCCN1CCN(C(=O)C=Cc2cccc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 2/20 0.61
RAB9A P51151 1/20 0.61
GPR183 P32249 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
F2R P25116 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
APP P05067 1/20 0.44
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PLK1 P53350 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL13636361 1.00 NPC1 (0.61) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL13636493 0.93 KDM4E (0.64) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL4375435 0.93 KDM4E (0.64) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL13636477 0.81 NPC1 (0.64) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL4378517 0.81 NPC1 (0.64) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL16599130 0.80 GPR183 (0.77) NPC1RAB9AGPR183SMN1; SMN2KMT2A
SCHEMBL16599132 0.80 GPR183 (0.77) NPC1RAB9AGPR183SMN1; SMN2KMT2A
SCHEMBL2897108 0.78 NPC1 (0.52) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL2897110 0.78 NPC1 (0.52) NPC1KDM4ERAB9AGPR183SMN1; SMN2
SCHEMBL13636006 0.78 KDM4E (0.67) NPC1KDM4ERAB9AGPR183SMN1; 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 4 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-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 1743/4885KDM4E 1567/4885RAB9A 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.