Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL15021680

CC(C)(C)OC(=O)NC1CCNCC1.N

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.52
BTK Q06187 1/20 0.51
CTSK P43235 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 2/20 0.46
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
EPHX2 P34913 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 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
SCHEMBL56856 0.98 EPHX1 (0.53) EPHX1BTKCTSKPOLBGAA
Water SCHEMBL27795194 0.96 EPHX1 (0.52) EPHX1BTKCTSKPOLBGAA
Hydrochloric Acid SCHEMBL4158527 0.96 EPHX1 (0.52) EPHX1BTKCTSKPOLBGAA
Alcohol SCHEMBL28064671 0.92 BTK (0.48) EPHX1BTKCTSKPOLBGAA
SCHEMBL14209088 0.92 BTK (0.55) EPHX1BTKCTSKPOLBGAA
SCHEMBL555051 0.92 BTK (0.55) EPHX1BTKCTSKPOLBGAA
Acetic Acid Methyl Ester SCHEMBL8483324 0.92 BTK (0.48) EPHX1BTKCTSKPOLBGAA
Formic Acid SCHEMBL7216484 0.92 BTK (0.48) EPHX1BTKCTSKPOLBGAA
SCHEMBL14209134 0.92 BTK (0.55) EPHX1BTKCTSKPOLBGAA
Methyl Carbamate SCHEMBL28171804 0.90 BTK (0.47) EPHX1BTKCTSKPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135897-B Fused benzamides 勃林格殷格翰国际有限公司 2021-07-27 CN disclosed
EP-3337483-B1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2019-10-09 EP disclosed
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2018-07-05 US disclosed
EP-3337483-A1 NOVEL ANNELATED BENZAMIDES Boehringer Ingelheim International GmbH (DE) 2018-06-27 EP disclosed
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
WO-2017028926-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 WO disclosed
EP-2794595-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 EP disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
WO-2013092674-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 EPHX1 2356/4885BTK 2427/4885CTSK 2256/4885
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 EPHX1 3124/4885BTK 470/4885CTSK 723/4885

“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.