SCHEMBL875433

SCHEMBL875433

CCCCCCCCCCOC(=O)C(O)(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
EPHX1 P07099 1/20 0.46
ACHE P22303 6/20 0.44
TSHR P16473 2/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9774204 1.00 NAAA (0.48) NAAAHCAR2EPHX1ACHETSHR
Water SCHEMBL16149369 0.98 NAAA (0.47) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL1958036 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL5961663 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL513362 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL6288811 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL1278241 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL1218290 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL10795013 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL417321 0.94 NAAA (0.51) NAAAHCAR2EPHX1ACHETSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106074548-A Monohydrate of azaadamantane derivative 艾伯维巴哈马有限公司 2016-11-09 CN claimed
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 CN claimed
EP-2619205-A1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE AbbVie Inc. (US) 2013-07-31 EP claimed
CN-103180321-A Monohydrate of azaadamantane derivative ABBOTT LAB 2013-06-26 CN claimed
WO-2012040404-A1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE ABBOTT LABORATORIES (US) 2012-03-29 WO claimed
CN-101541792-A Azaadamantane derivatives and methods of use ABBOTT LAB (US) 2009-09-23 CN claimed
EP-2619205-B1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE ABBVIE BAHAMAS LTD (BS) 2017-05-17 EP disclosed
CN-106074548-A Monohydrate of azaadamantane derivative 艾伯维巴哈马有限公司 2016-11-09 CN disclosed
CN-106074548-A Monohydrate of azaadamantane derivative 艾伯维巴哈马有限公司 2016-11-09 CN disclosed
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 CN disclosed
US-9359356-B2 Azaadamantane formate ester and process for preparing azaadamantane derivatives ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150166541-A1 AZAADAMANTANE FORMATE ESTER AND PROCESS FOR PREPARING AZAADAMANTANE DERIVATIVES ABBVIE INC. 2015-06-18 US disclosed
EP-2619205-A1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE AbbVie Inc. (US) 2013-07-31 EP disclosed
CN-103180321-A Monohydrate of azaadamantane derivative ABBOTT LAB 2013-06-26 CN disclosed
WO-2012040404-A1 MONOHYDRATE OF AN AZAADAMANTANE DERIVATIVE ABBOTT LABORATORIES (US) 2012-03-29 WO disclosed
CN-1029403-C 2-oxo-1-oxa-8-azaspiro [4,5] decane derivatives, pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZET (HU) 1995-08-02 CN disclosed
CN-1049348-A New 2-oxo-1-oxa--8-azaspiro [4,5] decane derivative contains their pharmaceutical composition and preparation method thereof RICHTER GEDEON VEGYESZET (HU) 1991-02-20 CN 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-20150166541-A1 AZAADAMANTANE FORMATE ESTER AND PROCESS FOR PREPARING AZAADAMANTANE DERIVATIVES DHRS9, GRHPR, DECR1 NAAA 298/4885HCAR2 233/4885EPHX1 1965/4885

“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.