SCHEMBL3178352

SCHEMBL3178352

CCOC(=O)c1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.50
RECQL P46063 1/20 0.49
MAPK10 P53779 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPK1 P28482 1/20 0.46
TNF P01375 1/20 0.45
GAA P10253 1/20 0.45
AGTR2 P50052 2/20 0.43
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL8078272 0.90 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL3497848 0.86 CYP11B1 (0.60) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL9302833 0.80 SMN1; SMN2 (0.73) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL3497173 0.79 RECQL (0.46) SMN1; SMN2LMNARECQLTSHRKMT2A
SCHEMBL3178904 0.77 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL3496132 0.77 CYP11B1 (0.59) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL2792417 0.77 ALDH1A1 (0.59) SMN1; SMN2LMNANPSR1HDAC1HDAC6
SCHEMBL3185603 0.76 HDAC1 (0.47) HDAC1HDAC6ALDH1A1
SCHEMBL3496693 0.76 CYP11B1 (0.60) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL3498617 0.76 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2HTTLMNA

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
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
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 CYP11B1 2926/4885CYP11B2 2281/4885SMN1; SMN2 2240/4885
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS CYP3A5, CYP3A7, CYP11B1 CYP11B1 3/4885CYP11B2 5/4885SMN1; SMN2 4843/4885

“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.