Hydrochloric Acid

Hydrochloric Acid

SCHEMBL313017

C[N+](C)(Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1)C1CCOCC1.[Cl-]

nearest known ligand 0.68

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 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.68
CCR5 P51681 1/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.50

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
SCHEMBL13148352 0.99 CCR2 (0.69) CCR2CCR5PTGDR2
Hydrochloric Acid SCHEMBL2907331 0.91 CCR2 (0.59) CCR2CCR5PTGDR2
SCHEMBL13148354 0.90 CCR2 (0.60) CCR2CCR5PTGDR2
Iodide SCHEMBL17555127 0.90 CCR2 (0.59) CCR2CCR5PTGDR2
Hydrochloric Acid SCHEMBL313312 0.87 CCR2 (0.67) CCR2CCR5
Iodide SCHEMBL17555075 0.85 CCR2 (0.67) CCR2CCR5
Hydrochloric Acid SCHEMBL2901075 0.82 CCR2 (0.98) CCR2CCR5
Hydrochloric Acid SCHEMBL2903158 0.82 CCR2 (0.83) CCR2CCR5
Hydrochloric Acid SCHEMBL2908067 0.82 CCR2 (0.98) CCR2CCR5
Hydrochloric Acid SCHEMBL2907328 0.82 CCR2 (0.81) CCR2CCR5

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
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
WO-2009055519-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO claimed
US-8168829-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-01 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2009055519-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 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 (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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885CCR5 7/4885PTGDR2 1049/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885CCR5 7/4885PTGDR2 1049/4885

“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.