Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16443779

COC(=O)CC(C[N+](C)(CCCc1ccc(OC)cc1)CCCc1ccc(OC)cc1)NC(=O)c1nc(Cl)c(N)nc1N.[Cl-]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 12/20 0.54
▸ KCNH2 Q12809 2/20 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
Hydrochloric Acid SCHEMBL16443777 1.00 SCNN1A (0.54) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL16443778 1.00 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16453284 0.99 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL20683800 0.99 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16443694 0.92 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16443693 0.92 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16443691 0.92 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL20683787 0.88 SCNN1A (0.50) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL20677538 0.88 SCNN1A (0.57) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL20677537 0.88 SCNN1A (0.57) SCNN1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030555-B1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2019-01-30 — — EP disclosed
EP-3030555-A1 NOVEL PYRAZINE AMIDE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2016-06-15 — — EP disclosed
US-9096548-B2 Pyrazine amide compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 — — US disclosed
WO-2015018754-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 — — WO disclosed
US-20150045326-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 — — 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 (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-20150045326-A1 NOVEL PYRAZINE AMIDE COMPOUNDS HRH4, HRH1, HRH2 SCNN1A 285/4885KCNH2 221/4885

“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.

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