Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20520489

CC[N+](CC)(CC)Cc1ccccc1C.[Cl-]

nearest known ligand 0.43

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
CHRM2 known ✓ P08172 2/20 0.39
CHRM1 known ✓ P11229 1/20 0.39
CHRM3 known ✓ P20309 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
ACHE known ✓ P22303 2/20 0.38
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
CYP2D6 P10635 2/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BCHE P06276 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
SCHEMBL28640892 0.78 LMNA (0.46) TAAR1KMT2ACHRM2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL9459954 0.78 HTR2A (0.46) KMT2ACHRM2CYP2D6CHRM1ADRA2C
Hydrochloric Acid SCHEMBL4193707 0.77 SMN1; SMN2 (0.47) KMT2ACHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL4188748 0.77 MEN1 (0.47) KMT2AACHEBCHETSHRMEN1
Hydrochloric Acid SCHEMBL6441812 0.77 CHRM2 (0.50) TAAR1KMT2ACHRM2CHRM1CYP11B1
Hydrochloric Acid SCHEMBL8615986 0.77 CYP2D6 (0.61) TAAR1KMT2ACHRM2CYP2D6CHRM1
SCHEMBL9858134 0.75 CHRM2 (0.52) TAAR1KMT2ACHRM2CHRM1CYP11B1
SCHEMBL20590195 0.74 CHRM2 (0.39) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL212194 0.74 CYP2D6 (0.63) TAAR1KMT2ACHRM2CYP2D6CHRM1
SCHEMBL20590194 0.74 CHRM2 (0.39) CHRM2CYP2D6CHRM1ADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239957-A Process for the preparation of 2-exo- (2-methylbenzyloxy) -1-methyl-4-isopropyl-7-oxabicyclo [2.2.1] heptane 巴斯夫农业公司 2024-06-25 CN disclosed
CN-110337438-B Process for the preparation of 2-exo- (2-methylbenzyloxy) -1-methyl-4-isopropyl-7-oxabicyclo [2.2.1] heptane 巴斯夫农业公司 2024-03-26 CN disclosed
US-10710969-B2 Process for preparing 2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane BASF Agro B.V. (NL) 2020-07-14 US disclosed
EP-3601295-A1 PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE BASF Agro B.V. (NL) 2020-02-05 EP disclosed
US-20200031792-A1 Process for Preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane BASF SE (DE) 2020-01-30 US disclosed
WO-2018177907-A1 PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE BASF Agro B.V. (NL) 2018-10-04 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 (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-20200031792-A1 Process for Preparing 2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane EXOC1, ADH1C, EXOC4 CHRM2 289/4885CHRM1 69/4885CHRM3 867/4885
US-10710969-B2 Process for preparing 2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane EXOC1, ADH1C, EXOC4 CHRM2 289/4885CHRM1 69/4885CHRM3 867/4885

“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.