SCHEMBL3497793

SCHEMBL3497793

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PTPN1 P18031 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
MGLL Q99685 1/20 0.48
HTR6 P50406 2/20 0.48
KMT2A Q03164 2/20 0.46
PLAU P00749 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PDE4B Q07343 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3496122 0.87 HDAC8 (0.49) POLBHDAC1HDAC8HDAC6HDAC2
SCHEMBL3498555 0.85 HRH3 (0.49) POLBHDAC1HDAC8HDAC6HDAC2
SCHEMBL3497848 0.82 CYP11B1 (0.60) POLBPTPN1HDAC1HDAC8HDAC6
SCHEMBL3497887 0.81 RECQL (0.56) PTPN1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8080727 0.80 HTR6 (0.49) POLBHDAC1HDAC8HDAC6HDAC2
SCHEMBL1749348 0.76 HDAC1 (0.72) POLBHDAC1HDAC8HDAC6HDAC2
SCHEMBL3496711 0.75 DRD2 (0.58) HDAC1HDAC8HDAC6HDAC2HDAC10
SCHEMBL6085799 0.75 HTR6 (0.70) POLBHDAC1HDAC8HDAC6HDAC2
SCHEMBL2866244 0.75 HDAC1 (0.71) PTPN1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL287420 0.75 ALDH1A1 (0.74) PTPN1HDAC1HDAC8HDAC6ALDH1A1

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-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
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP 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 POLB 4771/4885PTPN1 3471/4885HDAC1 1951/4885

“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.