SCHEMBL3178904

SCHEMBL3178904

CCOC(=O)c1coc(-c2ccc(CCl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
TARBP2 Q15633 5/20 0.45
CYP1A2 P05177 1/20 0.44
ELANE P08246 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
PDCD4 Q53EL6 1/20 0.41
MAPT P10636 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
APLNR P35414 1/20 0.41
PDE4B Q07343 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL3185603 0.88 HDAC1 (0.47) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL20361433 0.86 TARBP2 (0.60) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL26315180 0.86 HDAC1 (0.61) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL3070077 0.85 PDE4B (0.53) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL24339961 0.84 ELANE (0.53) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL2817924 0.84 HDAC1 (0.58) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL2792417 0.83 ALDH1A1 (0.59) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL17055727 0.83 HDAC1 (0.64) HDAC1HDAC8HDAC6TARBP2PDCD4
SCHEMBL3081837 0.83 HDAC1 (0.45) HDAC1HDAC8HDAC6TARBP2CYP1A2
SCHEMBL12571352 0.82 CDC7 (0.51) HDAC1HDAC8HDAC6TARBP2CYP1A2

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 14 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-2010009029-A2 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 WO disclosed
WO-2010009029-A2 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 WO disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 US disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 US disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 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
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HDAC1 1951/4885HDAC8 2412/4885HDAC6 1042/4885
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS CYP3A5, CYP3A7, CYP11B1 HDAC1 3075/4885HDAC8 2749/4885HDAC6 2827/4885

“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.