SCHEMBL3498555

SCHEMBL3498555

O=C(c1coc(-c2ccc(Cn3ccc4ccccc43)cc2)n1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
MGLL Q99685 1/20 0.44
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.42
PDE4B Q07343 7/20 0.42
KMT2A Q03164 2/20 0.41
PLAU P00749 1/20 0.41
MEN1 O00255 1/20 0.40
EIF4A3 P38919 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRM2 P08172 1/20 0.39
RAD52 P43351 1/20 0.38

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
SCHEMBL3497793 0.85 POLB (0.53) HRH3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3496117 0.83 RECQL (0.46) POLBPDE4BEIF4A3PDE4DCHRM2
SCHEMBL3496122 0.81 HDAC8 (0.49) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL3497033 0.80 PDE4B (0.44) HDAC1HDAC8HDAC6POLBPDE4B
SCHEMBL3496711 0.79 DRD2 (0.58) HRH3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3497168 0.79 PDE4B (0.43) HDAC1HDAC8HDAC6POLBPDE4B
Hydrochloric Acid SCHEMBL3498566 0.78 DRD2 (0.57) HRH3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4457997 0.77 DRD2 (0.46) HRH3POLBPDE4BEIF4A3
SCHEMBL8080727 0.75 HTR6 (0.49) HRH3HDAC1HDAC2HDAC10HDAC8
SCHEMBL6397963 0.74 HRH3 (0.42) HRH3HDAC1HDAC8HDAC6PDE4B

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
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885HDAC1 1951/4885HDAC2 1202/4885

“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.