Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14809487

CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1.[Cl-].[H+]

nearest known ligand 0.95

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
▸ SIGMAR1 Q99720 9/20 0.95
▸ CYP3A4 P08684 4/20 0.95
▸ CYP2D6 P10635 4/20 0.95
▸ TSHR P16473 3/20 0.95
▸ CYP1A2 P05177 2/20 0.95
▸ CYP2C19 P33261 2/20 0.95
▸ OPRK1 P41145 5/20 0.64
▸ OPRM1 P35372 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ MTOR P42345 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ OPRD1 P41143 1/20 0.64
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ PMP22 Q01453 3/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL11610023 0.98 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL29766818 0.98 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7218504 0.98 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7218502 0.98 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL10340142 0.96 SIGMAR1 (0.98) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL10340144 0.96 SIGMAR1 (0.98) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL10340107 0.95 SIGMAR1 (0.95) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL10340106 0.95 SIGMAR1 (0.95) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL11248186 0.87 SIGMAR1 (0.81) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL11457164 0.85 SIGMAR1 (0.77) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2

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-20140221286-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION GILEAD SCIENCES, INC. 2014-08-07 — — US disclosed
EP-2758053-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION Gilead Sciences, Inc. (US) 2014-07-30 — — EP disclosed
WO-2013043925-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION GILEAD SCIENCES, INC. (US) 2013-03-28 — — 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-20140221286-A1 SODIUM CHANNEL BLOCKERS REDUCE GLUCAGON SECRETION IAPP, SCNN1B, GLP1R SIGMAR1 2750/4885CYP3A4 4236/4885CYP2D6 4733/4885

“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.

Send feedback