SCHEMBL4378382

SCHEMBL4378382

O=C(C=CN1CCN(c2ccncc2)CC1)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
F10 P00742 7/20 0.52
F2 P00734 3/20 0.52
ELANE P08246 2/20 0.52
MAOB P27338 3/20 0.51
NR4A2 P43354 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 1/20 0.44
EPHX2 P34913 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
SCHEMBL4378386 0.78 GSK3B (0.52) HRH3F10F2ELANEMAOB
SCHEMBL13636011 0.78 GSK3B (0.52) HRH3F10F2ELANEMAOB
SCHEMBL2828805 0.76 MAOB (0.51) HRH3MAOBNR4A2PARP10NPC1
SCHEMBL4376027 0.75 NPC1 (0.53) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL4379062 0.73 NPC1 (0.45) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL4377394 0.72 ALDH1A1 (0.51) NPC1
SCHEMBL4379362 0.71 SLC2A1 (0.44) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4379155 0.70 ENPP2 (0.67) HRH3HRH2HRH1SMN1; SMN2
SCHEMBL4378526 0.70 ROCK2 (0.51) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7958205 0.69 F10 (0.53) HRH3F10MAOBHRH2HRH1

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 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
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 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 (2 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 HRH3 1/4885F10 4340/4885F2 2602/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HRH3 1/4885F10 4340/4885F2 2602/4885

“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.