SCHEMBL4381637

SCHEMBL4381637

O=C(COc1ccc2ccccc2c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 1/20 0.70
HPGD P15428 1/20 0.70
RAB9A P51151 1/20 0.70
KDM4E B2RXH2 2/20 0.70
GPR183 P32249 1/20 0.63
ACHE P22303 3/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.57
CYP2C19 P33261 2/20 0.57
TP53 P04637 2/20 0.57
CYP2D6 P10635 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL4384365 0.99 SMN1; SMN2 (0.74) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL3767950 0.90 SMN1; SMN2 (0.70) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL2831262 0.89 NPC1 (0.76) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL4384069 0.81 ALDH1A1 (0.71) KDM4EACHEMAPTMEN1KMT2A
SCHEMBL4378521 0.81 KDM4E (0.71) SMN1; SMN2RAB9AKDM4EACHEGAA
SCHEMBL4378928 0.80 KDM4E (0.73) SMN1; SMN2RAB9AKDM4EACHEGAA
SCHEMBL17175749 0.80 KDM4E (0.73) SMN1; SMN2HPGDRAB9AKDM4EGPR183
SCHEMBL4379135 0.80 ALDH1A1 (0.73) SMN1; SMN2KDM4EACHEMAPTMEN1
SCHEMBL4377948 0.80 KDM4E (0.64) SMN1; SMN2RAB9AKDM4EACHELMNA
SCHEMBL4383690 0.80 KDM4E (0.68) SMN1; SMN2KDM4EACHEMAPTMEN1

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
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

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 SMN1; SMN2 2684/4885NPC1 1743/4885HPGD 646/4885

“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.