SCHEMBL4375868

SCHEMBL4375868

O=C(C=Cc1cccc2ccccc12)N1CCN(c2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
CYP1B1 Q16678 1/20 0.56
LMNA P02545 4/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48

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
SCHEMBL13636168 1.00 KDM4E (0.66) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL14190943 0.80 HPGD (0.67) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL4376236 0.80 HPGD (0.67) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL14190918 0.77 LMNA (0.63) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4375452 0.77 LMNA (0.63) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4377275 0.77 KDM4E (0.67) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL13636006 0.77 KDM4E (0.67) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL13636362 0.75 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL4375435 0.75 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL4378517 0.75 NPC1 (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT

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 KDM4E 1567/4885RAB9A 3209/4885NPC1 1743/4885

“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.