Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4529445

O=C(O[C@@H]1CC[N+]2(CCOCC2)C1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.[Cl-]

nearest known ligand 0.50

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 8)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 18/20 0.50
CHRM3 known ✓ P20309 18/20 0.50
CHRM1 known ✓ P11229 17/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
Bromide SCHEMBL4523028 0.89 CHRM3 (0.57) CHRM2CHRM3CHRM1CHRM4CHRM5
Bromide SCHEMBL4519679 0.89 CHRM3 (0.56) CHRM2CHRM3CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL11469933 0.85 CHRM3 (0.69) CHRM2CHRM3CHRM1CHRM4CHRM5
Bromide SCHEMBL11470303 0.83 CHRM3 (0.71) CHRM2CHRM3CHRM1CHRM4CHRM5
Bromide SCHEMBL4508480 0.80 CHRM3 (0.63) CHRM2CHRM3CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL11468952 0.79 CHRM3 (0.59) CHRM2CHRM3CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL11480559 0.78 CHRM3 (0.48) CHRM2CHRM3CHRM1CHRM4CHRM5
SCHEMBL6399787 0.78 CHRM2 (0.59) CHRM2CHRM3CHRM1
SCHEMBL6400393 0.77 CHRM2 (0.66) CHRM2CHRM3CHRM1
Hydrochloric Acid SCHEMBL11466317 0.76 CHRM3 (0.74) CHRM2CHRM3CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (3 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM3 1/4885CHRM1 3/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM3 1/4885CHRM1 3/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM3 1/4885CHRM1 3/4885

“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.