Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4416722

CCCCN(C(=[N+])N(C(C)C)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.[Cl-]

nearest known ligand 0.66

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 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 12/20 0.66
NR1H2 P55055 8/20 0.54
NR1H3 Q13133 8/20 0.54
NR1I2 O75469 1/20 0.48

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 SCHEMBL4420053 0.86 MLYCD (0.63) MLYCDNR1H2NR1H3NR1I2
Hydrochloric Acid SCHEMBL4885341 0.85 MLYCD (0.62) MLYCDNR1H2NR1H3NR1I2
Hydrochloric Acid SCHEMBL4416719 0.84 MLYCD (0.65) MLYCDNR1H2NR1H3
SCHEMBL6843869 0.80 MLYCD (1.00) MLYCD
Hydrochloric Acid SCHEMBL4430776 0.78 MLYCD (0.61) MLYCDNR1H2NR1H3
Hydrochloric Acid SCHEMBL4425102 0.78 MLYCD (0.61) MLYCDNR1H2NR1H3
Hydrochloric Acid SCHEMBL4425154 0.77 MLYCD (0.60) MLYCDNR1H2NR1H3
Hydrochloric Acid SCHEMBL4431637 0.75 MLYCD (0.77) MLYCDNR1H2NR1H3
SCHEMBL2942014 0.75 MLYCD (0.70) MLYCDNR1H2NR1H3
SCHEMBL2945327 0.75 MLYCD (0.75) MLYCDNR1H2NR1H3

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
JP-4267920-B2 2009-05-27 JP claimed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
JP-2004523542-A 2004-08-05 JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO claimed

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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MLYCD 1/4885NR1H2 1305/4885NR1H3 1471/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H2 1233/4885NR1H3 1405/4885

“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.