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Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1860705

CO[C@H]1CC[C@H](CC(=O)O)CC1.[Cl-].[Li+]

nearest known ligand 0.41

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
▸ NAMPT known ✓ P43490 1/20 0.32
▸ ANPEP P15144 1/20 0.41
▸ ENPEP Q07075 1/20 0.41
▸ SLC6A1 P30531 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ SLC6A12 P48065 2/20 0.38
▸ SLC6A11 P48066 2/20 0.38
▸ SLC6A13 Q9NSD5 2/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRR1 P24046 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ ACSL1 P33121 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.33
▸ DAO P14920 1/20 0.33

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 SCHEMBL1710560 1.00 ANPEP (0.41) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL322740 0.96 ANPEP (0.43) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL322739 0.96 ANPEP (0.43) ANPEPENPEPSLC6A1GABRA5GABRB2
Potassium SCHEMBL607194 0.94 ANPEP (0.42) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL607192 0.94 ANPEP (0.42) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL15859443 0.82 SLC6A12 (0.37) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL606928 0.82 SLC6A12 (0.37) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL337453 0.78 BRD4 (0.43) GRM1ALDH1A1DAOKCNQ3KCNQ2
SCHEMBL337044 0.78 GRM1 (0.38) ANPEPENPEPGRM1POLBTDP1
SCHEMBL10086748 0.78 BRD4 (0.43) GRM1ALDH1A1DAOKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344482-B1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2012-08-15 — — EP disclosed
US-7939535-B2 Benzo[D]isoxazol-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMAN-LA ROCHE INC. (US) 2011-05-10 — — US disclosed
US-20100075985-A1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-03-25 — — US 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-20100075985-A1 BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, DRD1 NAMPT 3661/4885ANPEP 3481/4885ENPEP 2754/4885

“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.