Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL669341

N.O=C(O)C(=O)OC1CCCCC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP2C19 P33261 1/20 0.41
NAAA Q02083 2/20 0.40
HTT P42858 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STS P08842 3/20 0.38
CYP19A1 P11511 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1585325 0.98 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL28964356 0.98 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL2968824 0.95 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL28323024 0.90 EPHX1 (0.40) EPHX1CA12CA1CA2CA9
SCHEMBL2999385 0.85 EPHX1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL29049536 0.85
SCHEMBL28039181 0.84 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL11591531 0.82 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL6655840 0.80 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL20573315 0.80 EPHX1 (0.50) EPHX1CA12CA1CA2CA9

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
EP-2605772-B1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNAT AG (CH) 2016-06-22 EP disclosed
US-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2015-09-17 US disclosed
US-9006460-B2 Process for preparing aminocyclohexyl ether compounds CARDIOME INTERNATIONAL AG (CH) 2015-04-14 US disclosed
EP-2605772-A2 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130149751-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2013-06-13 US disclosed
WO-2012024100-A2 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
CN-101245019-B Novel technique for synthesizing quaternary ammonium salt QIU JIANXING 2011-04-20 CN disclosed
CN-101245019-A Novel technique for synthesizing quaternary ammonium salt QIU JIANXING (CN) 2008-08-20 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-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CYP3A43, CYP4B1, CYP3A4 EPHX1 163/4885CA12 2347/4885CA1 2272/4885

“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.