Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4154088

C[N+]1(CCO)CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.[Cl-]

nearest known ligand 0.59

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 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 1/20 0.41
GOT1 P17174 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EPHX2 P34913 1/20 0.39
PDGFRB P09619 1/20 0.38
ALOX5 P09917 1/20 0.38

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 SCHEMBL4167080 0.98 NPSR1 (0.59) NPSR1MAPTPOLBPKMKMT2A
Iodide SCHEMBL4155323 0.98 NPSR1 (0.59) NPSR1MAPTPOLBPKMKMT2A
Hydrochloric Acid SCHEMBL4162672 0.95 MAPT (0.57) NPSR1MAPTPOLBPKMKMT2A
SCHEMBL5239194 0.94 MAPT (0.58) NPSR1MAPTPOLBPKMKMT2A
Iodide SCHEMBL4156720 0.93 MAPT (0.57) NPSR1MAPTPOLBPKMKMT2A
Bromide SCHEMBL4171632 0.93 MAPT (0.57) NPSR1MAPTPOLBPKMKMT2A
Bromide SCHEMBL4152044 0.88 NPSR1 (0.59) NPSR1MAPTPOLBPKMKMT2A
Iodide SCHEMBL4157647 0.83 MAPT (0.57) NPSR1MAPTPOLBPKMKMT2A
Bromide SCHEMBL4149889 0.83 MAPT (0.57) NPSR1MAPTPOLBPKMKMT2A
Iodide SCHEMBL4150132 0.82 NPSR1 (0.56) NPSR1MAPTPOLBPKMKMT2A

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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 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 (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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A NPSR1 24/4885MAPT 4268/4885POLB 4738/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPSR1 24/4885MAPT 4268/4885POLB 4738/4885

“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.