Hydrochloric Acid

Hydrochloric Acid

SCHEMBL598365

Cc1cccc(-c2ccccc2)c1.[Cl-].[Cl-].[Mg+2]

nearest known ligand 0.53

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.52
TSHR P16473 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
ENPP3 O14638 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PTPN5 P54829 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
DHODH Q02127 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
SCHEMBL29699277 0.95 ACHE (0.58) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL200730 0.95 ACHE (0.58) TSHRRAB9ANPC1HPGDSMN1; SMN2
Benzene SCHEMBL27980187 0.95 ACHE (0.58) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL28284301 0.92 TSHR (0.55) TSHRRAB9ANPC1HPGDSMN1; SMN2
Hydrogen Sulfide SCHEMBL27914332 0.92 TSHR (0.55) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL20689786 0.92 TSHR (0.55) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL28660662 0.92 TSHR (0.55) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL19503240 0.92 TSHR (0.55) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL28043537 0.90 TSHR (0.53) TSHRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL18797759 0.89 ACHE (0.65) TSHRRAB9ANPC1HPGDSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121578-B1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-9206116-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-12-08 US disclosed
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2015-06-18 US disclosed
US-8993785-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8716495-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2014-05-06 US disclosed
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8115016-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS PHARMACEUTICALS CORPORATION 2010-05-06 US disclosed
EP-2121578-A2 NEW PROCESS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 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 (4 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-20100113801-A1 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid MME, REN, PAH ACHE 811/4885TSHR 2857/4885RAB9A 2405/4885
US-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID MME, REN, PAH ACHE 811/4885TSHR 2857/4885RAB9A 2405/4885
US-20140249320-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH ACHE 811/4885TSHR 2857/4885RAB9A 2405/4885
US-20150166468-A1 Process for Preparing 5-biphenyl-4-amino-2-methyl Pentanoic Acid MME, REN, PAH ACHE 811/4885TSHR 2857/4885RAB9A 2405/4885

“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.