SCHEMBL3582839

SCHEMBL3582839

CCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.60
KMT2A Q03164 4/20 0.58
ADRB2 P07550 2/20 0.53
HRH1 P35367 2/20 0.52
HSP90AA1 P07900 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MEN1 O00255 3/20 0.48
SLC6A7 Q99884 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3572825 0.91 HRH3 (0.58) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL3586374 0.90 HRH3 (0.72) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL6471895 0.83 HRH3 (0.54) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL6472123 0.82 HRH3 (0.63) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL3574534 0.81 HRH3 (0.68) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL3580329 0.80 HSP90AA1 (0.57) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL3584231 0.79 GPR119 (0.53) HRH3KMT2AADRB2HRH1HSP90AA1
SCHEMBL1809345 0.78 ADRB2 (0.71) HRH3KMT2AADRB2HRH1PLA2G1B
SCHEMBL4358926 0.77 HRH3 (0.74) HRH3KMT2AHRH1MEN1SMN1; SMN2
SCHEMBL14006660 0.76 HRH3 (0.98) HRH3HRH1KCNH2

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
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
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

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 HRH3 1/4885KMT2A 209/4885ADRB2 152/4885

“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.