Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2903301

C[N+](C)(Cc1ccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1)C1CCOCC1.[Cl-]

nearest known ligand 0.69

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 13)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 6/20 0.69
▸ MAPT P10636 5/20 0.63
▸ TP53 P04637 3/20 0.63
▸ LMNA P02545 1/20 0.63
▸ CCR5 P51681 8/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CXCR3 P49682 2/20 0.44
▸ CXCR5 P32302 1/20 0.44
▸ CCR7 P32248 1/20 0.44

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
SCHEMBL2692635 0.99 CCR2 (0.70) CCR2MAPTTP53LMNACCR5
Iodide SCHEMBL17555144 0.98 CCR2 (0.69) CCR2MAPTTP53LMNACCR5
Hydrochloric Acid SCHEMBL2696183 0.90 CCR2 (0.85) CCR2CCR5CXCR3CXCR5CCR7
SCHEMBL4456644 0.89 CCR2 (0.87) CCR2CCR5CXCR3CXCR5CCR7
Iodide SCHEMBL17555185 0.88 CCR2 (0.85) CCR2CCR5CXCR3CXCR5CCR7
Hydrochloric Acid SCHEMBL313749 0.83 CCR5 (0.63) CCR2CCR5CXCR3CXCR5CCR7
SCHEMBL13148343 0.82 CCR5 (0.62) CCR2CCR5CXCR3CXCR5CCR7
Hydrochloric Acid SCHEMBL2905488 0.81 CCR2 (0.72) CCR2MAPTTP53LMNACCR5
SCHEMBL13148273 0.80 CCR2 (0.73) CCR2MAPTTP53LMNACCR5
Hydrochloric Acid SCHEMBL2900378 0.80 CCR2 (0.51) CCR2MAPTTP53CCR5MEN1

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 6 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
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP 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 1/4885MAPT 2532/4885TP53 2197/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 CCR2 1/4885MAPT 2532/4885TP53 2197/4885

“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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