Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1821510

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1cnccn1.[Cl-]

nearest known ligand 0.64

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 1)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 20/20 0.64

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
SCHEMBL1822646 1.00 CHRM3 (0.64) CHRM3
Hydrochloric Acid SCHEMBL2288069 1.00 CHRM3 (0.64) CHRM3
SCHEMBL1822645 1.00 CHRM3 (0.64) CHRM3
SCHEMBL10147686 1.00 CHRM3 (0.64) CHRM3
SCHEMBL10147698 1.00 CHRM3 (0.64) CHRM3
Bromide SCHEMBL1042711 0.99 CHRM3 (0.63) CHRM3
Bromide SCHEMBL2295702 0.99 CHRM3 (0.63) CHRM3
Bromide SCHEMBL1042288 0.99 CHRM3 (0.63) CHRM3
Bromide SCHEMBL1042609 0.99 CHRM3 (0.63) CHRM3
SCHEMBL10147681 0.99 CHRM3 (0.63) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 EP disclosed
WO-2009139707-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009139708-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A β2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-11-19 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 (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-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A CHRM3 13/4885

“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.