Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4107692

CCCCCCCCCCCCCCCC1=[N+](Cc2ccccc2Cl)CCc2cc(OC)c(OC)cc21.[Cl-]

nearest known ligand 0.39

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 3/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 2/20 0.36
PDE10A Q9Y233 1/20 0.35
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.34

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 SCHEMBL4097927 1.00 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4103259 1.00 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4097019 1.00 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4762948 0.99 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4766835 0.99 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4097258 0.99 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4768256 0.99 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4772040 0.99 ACHE (0.39) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4764632 0.98 ACHE (0.40) ACHEMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4108502 0.88 ACHE (0.41) ACHEMAPTKDM4EMAPK1P2RX7

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
US-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 US disclosed
EP-1896419-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2008-03-12 EP disclosed
WO-2006129978-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2006-12-07 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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 ACHE 984/4885MAPT 1375/4885SMN1; SMN2 4050/4885

“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.