Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1243591

C[C@H](N)C(=O)Nc1ccc(C=Cc2sc3ccccc3[n+]2C)cc1.[Cl-]

nearest known ligand 0.52

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 15)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 10/20 0.52
▸ SNCA P37840 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.46
▸ ADRB2 P07550 3/20 0.45
▸ ADRB1 P08588 2/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTA4H P09960 1/20 0.40
▸ XIAP P98170 1/20 0.39

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
SCHEMBL16144029 0.84 INSR (0.51) INSRTAAR1POLBMAPTHTT
Iodide SCHEMBL1244938 0.83 INSR (0.50) INSRTAAR1POLBMAPTHTT
Iodide SCHEMBL1243530 0.81 INSR (0.53) INSRSNCATAAR1ADRB2ADRB1
SCHEMBL1246538 0.76 ACHE (0.58) TAAR1POLBMAPTMAPK1HTT
SCHEMBL1245863 0.76 CHAT (0.57) TAAR1NSD2POLBMAPTMAPK1
SCHEMBL1244922 0.74 ALOX5 (0.61) INSRTAAR1POLBMAPTHTT
SCHEMBL1246036 0.74 TAAR1 (0.51) TAAR1POLBMAPTHTTRAB9A
Iodide SCHEMBL1243612 0.74 SNCA (0.45) INSRSNCAADRB2ADRB1NSD2
Iodide SCHEMBL6246881 0.72 INSR (0.70) INSRSNCAADRB2ADRB1NSD2
Hydrochloric Acid SCHEMBL5404008 0.72 ACHE (0.62) TAAR1LTA4HXIAP

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-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP claimed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 — — US claimed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP claimed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 — — US claimed
WO-2011012807-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO claimed
EP-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP disclosed
US-8535902-B2 Peptidase substrates bioMërieux, S.A. 2013-09-17 — — US disclosed
EP-2459733-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP disclosed
US-20120129203-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-24 — — US disclosed
WO-2011012807-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — 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 (1 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-20120129203-A1 Novel Peptidase Substrates CTRL, CPB1, ANPEP INSR 340/4885SNCA 4665/4885TAAR1 790/4885

“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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