SCHEMBL3575833

SCHEMBL3575833

N#Cc1ccc(C(=O)N2CCN(c3ccc(OC[C@H]4CCCNC4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RBP4 P02753 1/20 0.49
NAMPT P43490 2/20 0.46
KCNA5 P22460 1/20 0.46
SLC6A7 Q99884 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
HRH3 Q9Y5N1 4/20 0.44
CHEK2 O96017 1/20 0.44
CYP2D6 P10635 1/20 0.44
HRH1 P35367 1/20 0.44
KDM1A O60341 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL3580411 0.90 KMT2A (0.57) LMNAMEN1KMT2ARBP4KCNA5
SCHEMBL3585948 0.90 KMT2A (0.57) LMNAMEN1KMT2ARBP4KCNA5
SCHEMBL3591495 0.83 LMNA (0.53) LMNAMEN1KMT2ARBP4NAMPT
SCHEMBL3587156 0.82 LMNA (0.52) LMNAMEN1KMT2ARBP4NAMPT
SCHEMBL4238409 0.79 SLC6A2 (0.66) SLC6A2SLC6A4CHEK2KDM1A
SCHEMBL3588172 0.77 RBP4 (0.67) LMNAMEN1KMT2ARBP4KCNA5
SCHEMBL30170608 0.75 MGLL (0.52) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL13806533 0.75 PARP15 (0.58) MEN1KMT2ARBP4CYP2D6ALDH1A1
SCHEMBL14565799 0.75 HRH3 (0.73) KCNA5HRH3CYP2D6HRH1
Hydrochloric Acid SCHEMBL30170667 0.74 MGLL (0.51) LMNAMEN1KMT2ASLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 WO 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 LMNA 4344/4885MEN1 1222/4885KMT2A 209/4885

“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.